data_2cnj_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2cnj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' D' 1515 ' ' ASP . 20.7 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.442 HG22 HD22 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.442 HD22 HG22 ' D' 1519 ' ' THR . 3.3 tm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.449 ' HB3' HD11 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.491 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.449 HD11 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.636 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -3.312 0 CA-C-O 121.994 0.775 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.498 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.534 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.636 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1558 ' ' ASN . . . . . 0.479 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.595 ' HB2' ' O ' ' D' 1556 ' ' ASN . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.427 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1580 ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' D' 1580 ' ' ARG . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.496 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.58 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.507 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.433 -1.313 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.533 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' D' 1529 ' ' LEU . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.458 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? . . . . . 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.52 HD13 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1630 ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.403 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.533 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1641 ' ' HIS . . . . . 0.458 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 . . . . . 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 120.986 0.422 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' D' 1527 ' ' PHE . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.438 -1.075 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' D' 1517 ' ' GLN . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.553 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.447 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.553 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.393 -4.187 0 CA-C-O 122.614 1.119 . . . . 0.0 114.322 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.462 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.565 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.502 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1580 ' ' ARG . . . . . 0.413 ' HB3' ' CZ ' ' D' 1582 ' ' ARG . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.611 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' D' 1608 ' ' SER . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.565 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.606 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1609 ' ' VAL . . . . . 0.431 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.502 ' CZ ' HD11 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.569 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.476 -1.901 0 CA-C-O 122.451 1.12 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.606 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.571 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.434 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.539 HG23 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.475 HG22 HD22 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.2 m120 . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.475 HD22 HG22 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.444 -0.728 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.523 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.523 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.408 -3.224 0 CA-C-O 121.964 0.758 . . . . 0.0 114.256 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.591 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' D' 1516 ' ' CYS 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.449 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.561 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.2 mp0 -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.733 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1580 ' ' ARG . . . . . 0.434 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.43 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.539 ' N ' HG23 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.425 HG12 ' O ' ' D' 1608 ' ' SER . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.418 -2.027 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1606 ' ' TYR . . . . . 0.568 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' D' 1592 ' ' TYR . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.475 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1625 ' ' MET . . . . . 0.425 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.452 HD13 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1630 ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1632 ' ' GLN . . . . . 0.449 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1633 ' ' THR . . . . . 0.547 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1634 ' ' CYS . . . . . 0.568 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.416 ' N ' ' HB3' ' D' 1630 ' ' ASP . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.452 ' HB3' HD13 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.475 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.473 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.473 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' D' 1646 ' ' CYS . 7.0 tp10 . . . . . 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 . . . . . 0 C--O 1.238 0.486 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.624 HG22 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 18.7 m120 . . . . . 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.405 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' D' 1612 ' ' PHE . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.755 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.415 HD11 ' HB3' ' D' 1529 ' ' LEU . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.755 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.498 ' NH2' ' HA ' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.778 0 N-CA-C 114.957 0.743 . . . . 0.0 114.957 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.494 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.564 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.493 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.498 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.57 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1574 ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' D' 1515 ' ' ASP . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.482 HD21 ' HG ' ' D' 1529 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.432 ' C ' HG22 ' D' 1518 ' ' VAL . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.624 ' N ' HG22 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.608 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.418 ' CG ' ' H ' ' D' 1594 ' ' ASP . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' D' 1593 ' ' LYS . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 CA--C 1.498 -1.055 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.575 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1609 ' ' VAL . . . . . 0.43 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.51 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.497 HD13 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.575 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.51 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 27.2 m80 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.738 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' 1646 ' ' CYS . 16.6 tp10 . . . . . 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.663 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.493 HD11 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.456 ' NH2' ' HA2' ' D' 1554 ' ' GLY . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.418 ' HA3' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.405 -3.402 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1549 ' ' TYR . . . . . 0.451 ' HB3' HD22 ' D' 1556 ' ' ASN . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.54 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.539 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1554 ' ' GLY . . . . . 0.456 ' HA2' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.439 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' D' 1559 ' ' CYS . 27.4 t30 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' D' 1556 ' ' ASN . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.418 HE21 ' HA3' ' D' 1546 ' ' GLY . 64.8 mm-40 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1572 ' ' ILE . . . . . 0.419 HG21 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.565 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.443 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.562 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.603 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.539 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1596 ' ' SER . . . . . 0.419 ' HB2' HG21 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.423 -1.825 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.6 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.497 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 CA--C 1.492 -1.251 0 CA-C-O 122.186 0.993 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.6 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.497 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' D' 1644 ' ' LEU . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.65 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1644 ' ' LEU . . . . . 0.418 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.467 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.491 HG22 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.459 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 0.2 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.491 ' CD2' HG22 ' D' 1519 ' ' THR . 24.2 mt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD11 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.596 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.457 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.596 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.408 0 CA-C-O 121.874 0.708 . . . . 0.0 114.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.45 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.604 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.589 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1558 ' ' ASN . . . . . 0.425 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.637 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.516 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1574 ' ' VAL . . . . . 0.422 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.524 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.459 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' 1610 ' ' ILE . 37.3 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.604 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo . . . . . 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.423 -1.781 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D 1606 ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.511 ' O ' ' HA ' ' D' 1591 ' ' VAL . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' D' 1589 ' ' GLN . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1611 ' ' SER . . . . . . . . . . . . . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.628 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1622 ' ' ASN . . . . . 0.467 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 . . . . . 0 N--CA 1.408 -2.563 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1624 ' ' PRO . . . . . 0.49 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1625 ' ' MET . . . . . 0.466 ' HA ' ' HE3' ' D' 1625 ' ' MET . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.43 HD11 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.43 ' HB3' HD11 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1639 ' ' SER . . . . . . . . . . . . . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.621 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.621 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.571 ' HA ' ' O ' ' D' 1527 ' ' PHE . 19.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.402 HG23 ' N ' ' D' 1583 ' ' TYR . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.423 -1.802 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.622 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.499 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.591 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.416 -2.653 0 CA-C-O 121.762 0.646 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1549 ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.471 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.607 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.59 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' D' 1556 ' ' ASN . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1565 ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.591 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.4 mp0 -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1580 ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.402 ' N ' HG23 ' D' 1518 ' ' VAL . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.52 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.413 ' N ' HG11 ' D' 1587 ' ' VAL . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.408 HG12 ' O ' ' D' 1608 ' ' SER . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.607 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo . . . . . 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.428 -1.548 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.527 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.527 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.561 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.561 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.889 1.328 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D 1623 ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.488 HD13 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.415 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.527 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.464 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' D' 1647 ' ' GLU . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' 1646 ' ' CYS . 0.2 OUTLIER . . . . . 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.576 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.476 HG23 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.433 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1528 ' ' ASP . . . . . 0.514 ' O ' HD13 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.429 ' HG ' HD21 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.561 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' D' 1529 ' ' LEU . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.561 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1534 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' D' 1555 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 . . . . . 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.405 -3.424 0 CA-C-O 122.45 1.028 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' D' 1539 ' ' THR . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.485 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.679 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.417 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' D' 1556 ' ' ASN . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1575 ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.576 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.455 HD11 HD21 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.476 ' HA ' HG23 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.563 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.455 HD21 HD11 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.442 HG12 ' O ' ' D' 1608 ' ' SER . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.679 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.563 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.48 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 . . . . . 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 CA--C 1.485 -1.534 0 CA-C-O 122.082 0.944 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.539 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.539 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D 1644 ' ' LEU . . . . . 0.514 HD13 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' D' 1647 ' ' GLU . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' D' 1646 ' ' CYS . 0.6 OUTLIER . . . . . 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.507 -0.711 0 CA-C-O 120.627 0.251 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.402 HG23 ' N ' ' D' 1583 ' ' TYR . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.497 ' HG ' HD21 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.611 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.471 HD11 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.556 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 . . . . . 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.445 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.423 -2.185 0 CA-C-O 121.243 0.357 . . . . 0.0 113.707 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.541 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.564 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1554 ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' D' 1577 ' ' ALA . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' D' 1559 ' ' CYS . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.556 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.544 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.445 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 7.9 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1575 ' ' GLY . . . . . 0.45 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1577 ' ' ALA . . . . . 0.455 ' HB2' ' C ' ' D' 1554 ' ' GLY . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.497 HD21 ' HG ' ' D' 1529 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.402 ' N ' HG23 ' D' 1518 ' ' VAL . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.42 HG11 ' O ' ' D' 1608 ' ' SER . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1611 ' ' SER . . . . . . . . . . . . . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.6 m-80 . . . . . 0 CA--C 1.485 -1.536 0 CA-C-O 122.701 1.238 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1639 ' ' SER . . . . . . . . . . . . . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.482 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.482 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.562 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' D' 1647 ' ' GLU . 3.5 tp10 . . . . . 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.482 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 . . . . . 0 CA--C 1.497 -1.076 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.413 HG23 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 N--CA 1.435 -1.185 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.53 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1528 ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.499 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.451 HD13 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.409 -3.121 0 CA-C-O 122.609 1.116 . . . . 0.0 115.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1549 ' ' TYR . . . . . 0.451 ' CE2' ' HA3' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.517 HG21 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1568 ' ' GLY . . . . . 0.451 ' HA3' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.472 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1580 ' ' ARG . . . . . 0.482 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.436 HD21 ' HG ' ' D' 1529 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.413 ' N ' HG23 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.507 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1591 ' ' VAL . . . . . . . . . . . . . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.426 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.426 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1595 ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo . . . . . 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1605 ' ' SER . . . . . 0.449 ' HB3' ' O ' ' D' 1595 ' ' GLY . 20.8 m . . . . . 0 N--CA 1.432 -1.349 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1606 ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.466 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 . . . . . 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.494 -1.187 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1624 ' ' PRO . . . . . 0.439 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.446 HD13 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1633 ' ' THR . . . . . 0.576 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1634 ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' D' 1633 ' ' THR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.446 ' HB3' HD13 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 . . . . . 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.531 0.205 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.467 HG23 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.468 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 14.6 m120 . . . . . 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.514 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.43 HD11 ' HB3' ' D' 1529 ' ' LEU . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.514 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.558 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1540 ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.425 ' HA3' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.422 -2.243 0 CA-C-O 121.584 0.547 . . . . 0.0 113.407 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.629 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.529 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.558 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1558 ' ' ASN . . . . . 0.603 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.534 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.425 HE21 ' HA3' ' D' 1546 ' ' GLY . 7.5 tp-100 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.603 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.529 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1581 ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.467 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.426 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' D' 1608 ' ' SER . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.629 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.435 -1.211 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.502 ' O ' ' HA ' ' D' 1591 ' ' VAL . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.468 ' HB3' HG13 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D 1622 ' ' ASN . . . . . 0.468 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.1 t-20 . . . . . 0 N--CA 1.424 -1.754 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.437 HD13 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.407 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.434 ' HB3' HD11 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.437 ' HB3' HD13 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.468 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.675 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.675 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.484 HG21 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 40.7 t-20 . . . . . 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.484 ' N ' HG21 ' D' 1519 ' ' THR . 3.0 tm? . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.21 1.005 . . . . 0.0 111.755 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.681 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.681 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.536 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1540 ' ' ALA . . . . . 0.472 ' HB2' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.83 0 CA-C-O 121.491 0.495 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.536 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.539 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.472 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1575 ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.625 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.653 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.563 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.513 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.445 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.436 -1.141 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.513 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1609 ' ' VAL . . . . . 0.479 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.709 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.601 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 . . . . . 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 122.634 1.207 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.455 HD13 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1630 ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.455 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.455 ' HB3' HD13 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1642 ' ' THR . . . . . . . . . . . . . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.601 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' D' 1647 ' ' GLU . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' D' 1646 ' ' CYS . 46.8 tt0 . . . . . 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' D' 1527 ' ' PHE . 28.4 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.519 HG23 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.442 HD23 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.461 ' HB3' HD11 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.725 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.461 HD11 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.548 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1540 ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.521 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.412 -2.952 0 CA-C-O 121.329 0.405 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1550 ' ' MET . . . . . 0.43 ' O ' ' HA2' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.548 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.1 t30 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.555 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1561 ' ' PRO . . . . . 0.47 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.555 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.521 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.4 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1575 ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.3 m-80 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.489 HD12 HD21 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG23 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.508 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.53 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.489 HD21 HD12 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.459 HG12 ' O ' ' D' 1608 ' ' SER . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.499 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.433 ' CZ ' HD12 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 53.0 m-80 . . . . . 0 CA--C 1.494 -1.173 0 CA-C-O 122.419 1.104 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.514 HD13 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.514 ' OG ' HD13 ' D' 1627 ' ' ILE . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1642 ' ' THR . . . . . . . . . . . . . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.589 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' D' 1527 ' ' PHE . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.545 HG23 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.459 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.432 -1.343 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.407 ' HB3' HD11 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.672 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.407 HD11 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.672 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.454 0 CA-C-O 122.226 0.904 . . . . 0.0 115.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.682 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1554 ' ' GLY . . . . . 0.418 ' H ' ' C ' ' D' 1552 ' ' ILE . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.501 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' D' 1556 ' ' ASN . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.535 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.475 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.545 ' N ' HG23 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.719 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 31.3 mm-40 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.0 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' D' 1608 ' ' SER . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.682 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.461 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1606 ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.46 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.527 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.719 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 . . . . . 0 CA--C 1.489 -1.376 0 CA-C-O 122.577 1.18 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1626 ' ' LEU . . . . . 0.41 HD13 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.467 HD11 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1634 ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.46 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.467 ' HB3' HD11 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.527 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.447 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' D' 1642 ' ' THR . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' D' 1646 ' ' CYS . 12.5 tp10 . . . . . 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1517 ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.551 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.436 HD11 ' HB3' ' D' 1529 ' ' LEU . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.481 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.482 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.415 -2.734 0 CA-C-O 122.14 0.856 . . . . 0.0 114.433 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1549 ' ' TYR . . . . . 0.447 ' HB3' HD22 ' D' 1556 ' ' ASN . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.481 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.666 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.5 t30 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.672 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.482 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.6 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.551 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.524 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' D' 1582 ' ' ARG . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.666 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.521 ' HZ1' ' HB2' ' D' 1593 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 CA--C 1.498 -1.03 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.487 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.428 1.109 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.505 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1641 ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 55.9 m80 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.578 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' D' 1646 ' ' CYS . 9.5 tp10 . . . . . 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' D' 1527 ' ' PHE . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.519 HG23 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.41 HG21 HD21 ' D' 1526 ' ' LEU . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.435 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.436 HD11 ' CZ ' ' D' 1612 ' ' PHE . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.637 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.433 HD11 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1540 ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.543 ' HA2' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.415 -2.71 0 CA-C-O 121.744 0.636 . . . . 0.0 114.31 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.431 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.654 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.555 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.543 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1558 ' ' ASN . . . . . 0.439 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.667 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.543 HE21 ' HA2' ' D' 1546 ' ' GLY . 61.4 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.555 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG23 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.691 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.411 ' HB2' HD12 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' D' 1608 ' ' SER . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.654 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.415 ' HG3' HG11 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.533 ' O ' ' HA ' ' D' 1591 ' ' VAL . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.644 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.52 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' D' 1529 ' ' LEU . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 . . . . . 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 . . . . . 0 CA--C 1.479 -1.75 0 CA-C-O 122.431 1.11 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.404 HD11 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.404 ' HB3' HD11 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.52 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.663 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.792 0.329 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' D' 1527 ' ' PHE . 36.5 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.611 HG23 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.445 HG22 HD21 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.445 HD21 HG22 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.587 HD12 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.49 HD11 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.498 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.539 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.562 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 CA--C 1.467 -2.925 0 CA-C-O 121.924 0.736 . . . . 0.0 114.128 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.539 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.442 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1558 ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.498 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.491 ' HB3' ' ND2' ' D' 1558 ' ' ASN . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.412 ' CZ ' HG13 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.562 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 50.0 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1574 ' ' VAL . . . . . 0.412 HG13 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.615 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.437 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.577 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.611 ' N ' HG23 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.602 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.674 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.516 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' D' 1594 ' ' ASP . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' D' 1593 ' ' LYS . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.576 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.516 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.674 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.498 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.587 ' CZ ' HD12 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 . . . . . 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 122.273 1.035 . . . . 0.0 108.363 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1624 ' ' PRO . . . . . 0.429 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.576 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1638 ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.498 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.762 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 . . . . . 0 CA--C 1.494 -1.207 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' 1515 ' ' ASP . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.541 HG23 ' N ' ' D' 1583 ' ' TYR . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.428 ' HB3' HD11 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.558 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.428 HD11 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1542 ' ' TYR . . . . . 0.581 ' OH ' HD21 ' D' 1629 ' ' LEU . 14.4 t80 . . . . . 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.118 0 CA-C-O 121.888 0.716 . . . . 0.0 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1550 ' ' MET . . . . . 0.405 ' HE1' ' HG3' ' D' 1624 ' ' PRO . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.498 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.47 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1554 ' ' GLY . . . . . 0.416 ' C ' ' HB2' ' D' 1577 ' ' ALA . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' D' 1556 ' ' ASN . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.574 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.584 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1571 ' ' ARG . . . . . 0.584 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1573 ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1575 ' ' GLY . . . . . 0.466 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1577 ' ' ALA . . . . . 0.416 ' HB2' ' C ' ' D' 1554 ' ' GLY . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.441 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.417 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' D' 1588 ' ' LEU 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.541 ' N ' HG23 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.464 HG12 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.511 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D 1605 ' ' SER . . . . . 0.41 ' O ' ' HB2' ' D' 1634 ' ' CYS . 26.7 m . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.511 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1609 ' ' VAL . . . . . 0.401 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.464 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 . . . . . 0 CA--C 1.472 -2.031 0 CA-C-O 123.086 1.422 . . . . 0.0 108.417 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1624 ' ' PRO . . . . . 0.405 ' HG3' ' HE1' ' D' 1550 ' ' MET . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1629 ' ' LEU . . . . . 0.581 HD21 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1634 ' ' CYS . . . . . 0.41 ' HB2' ' O ' ' D' 1605 ' ' SER . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.464 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' D' 1647 ' ' GLU . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.7 tp10 . . . . . 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1516 ' ' CYS . . . . . 0.693 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' D' 1527 ' ' PHE . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1518 ' ' VAL . . . . . 0.508 HG23 ' N ' ' D' 1583 ' ' TYR . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1519 ' ' THR . . . . . 0.493 HG21 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' D' D 1520 ' ' ASN . . . . . . . . . . . . 0.251 10.5 t-20 . . . . . 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 2 1 . 1 . 019 nuclear orig core ' D' D 1526 ' ' LEU . . . . . 0.493 ' N ' HG21 ' D' 1519 ' ' THR . 2.8 tm? . . . . . 0 CA--C 1.508 -0.661 0 CA-C-O 121.903 0.859 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.678 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.463 HD11 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.678 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.603 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.271 0 CA-C-O 121.511 0.506 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1548 ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.436 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.653 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.507 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1560 ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' D' 1576 ' ' LYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1573 ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1574 ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1578 ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.403 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1582 ' ' ARG . . . . . 0.497 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D 1583 ' ' TYR . . . . . 0.508 ' N ' HG23 ' D' 1518 ' ' VAL . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' D' 1582 ' ' ARG . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.576 ' HA ' ' O ' ' D' 1610 ' ' ILE . 28.4 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.653 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1593 ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo . . . . . 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D 1606 ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.525 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.567 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.496 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.465 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 . . . . . 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D 1623 ' ' ARG . . . . . 0.603 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1625 ' ' MET . . . . . 0.449 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1627 ' ' ILE . . . . . 0.42 HD13 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1630 ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' D' 1634 ' ' CYS . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1634 ' ' CYS . . . . . 0.421 ' HA ' ' O ' ' D' 1630 ' ' ASP . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.525 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1637 ' ' PHE . . . . . 0.42 ' HB3' HD13 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.496 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1641 ' ' HIS . . . . . 0.465 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.874 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.874 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1515 ' ' ASP . . . . . 0.457 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1517 ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1520 ' ' ASN . . . . . 0.407 HD22 ' HB3' ' D' 1647 ' ' GLU 0.264 14.7 m120 . . . . . 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 47.3 mt . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1527 ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1528 ' ' ASP . . . . . 0.446 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1529 ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1530 ' ' SER . . . . . 0.558 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1532 ' ' LEU . . . . . 0.462 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1533 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1535 ' ' ARG . . . . . 0.582 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1537 ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1539 ' ' THR . . . . . 0.548 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1546 ' ' GLY . . . . . 0.626 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.405 -3.422 0 CA-C-O 122.631 1.129 . . . . 0.0 114.481 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1551 ' ' SER . . . . . 0.443 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1553 ' ' CYS . . . . . 0.408 ' SG ' HG21 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1555 ' ' GLU . . . . . 0.455 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1556 ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1557 ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1559 ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1560 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1561 ' ' PRO . . . . . 0.409 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1563 ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1564 ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1566 ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1567 ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1569 ' ' GLN . . . . . 0.626 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1572 ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1573 ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1576 ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1579 ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1581 ' ' LEU . . . . . 0.451 HD21 ' HG ' ' D' 1529 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1584 ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1586 ' ' GLN . . . . . 0.546 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1587 ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD12 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1590 ' ' LEU . . . . . 0.429 HD11 ' HH ' ' D' 1592 ' ' TYR . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1607 ' ' LYS . . . . . 0.502 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1608 ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1611 ' ' SER . . . . . 0.408 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1612 ' ' PHE . . . . . 0.592 ' CZ ' HD12 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1614 ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1615 ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 3.7 mmp_? . . . . . 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D 1623 ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1635 ' ' THR . . . . . 0.502 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1639 ' ' SER . . . . . 0.408 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1640 ' ' TRP . . . . . 0.468 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D 1642 ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1643 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1645 ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D 1646 ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' D' 1647 ' ' GLU . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D 1647 ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' D' 1646 ' ' CYS . 0.4 OUTLIER . . . . . 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 72.45 107.09 0.07 Allowed 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 124.72 1.208 . . . . 0.0 111.893 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.528 ' OE1' ' HD3' ' D' 1580 ' ' ARG . 45.7 mt-10 76.39 -174.26 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.099 1.359 . . . . 0.0 112.452 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -142.32 -76.6 0.27 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.836 0.826 . . . . 0.0 110.179 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.66 7.93 45.53 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 75.5 164.32 0.26 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 127.369 2.268 . . . . 0.0 110.191 -174.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' D' 1515 ' ' ASP . 20.7 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.442 HG22 HD22 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.435 ' HB2' ' H ' ' D' 1525 ' ' HIS . 14.0 m120 -58.08 124.08 68.16 Favored Pre-proline 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.521 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.4 Cg_endo -86.27 -10.87 6.5 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 N-CA-C 107.756 -1.671 . . . . 0.0 107.756 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.521 ' H ' ' CD ' ' D' 1521 ' ' PRO . 2.2 m -102.28 -12.5 17.92 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 111.816 -2.447 . . . . 0.0 111.403 -175.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 3.7 m -128.96 -30.65 2.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.913 0.863 . . . . 0.0 109.496 -175.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.64 24.64 60.11 Favored Glycine 0 N--CA 1.418 -2.532 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.825 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.435 ' H ' ' HB2' ' D' 1520 ' ' ASN . 41.9 t-80 -101.45 129.22 47.45 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.092 -1.054 . . . . 0.0 109.313 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.442 HD22 HG22 ' D' 1519 ' ' THR . 3.3 tm? -90.44 141.98 28.2 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -176.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.449 ' HB3' HD11 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.491 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.449 HD11 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.636 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 -91.45 98.91 11.97 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 31.7 m 53.75 -141.43 0.86 Allowed 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.791 -174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -3.28 20.19 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.698 0.761 . . . . 0.0 111.568 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 55.0 pttt -112.91 -22.87 10.41 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.212 1.006 . . . . 0.0 110.645 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -124.48 162.29 18.7 Favored Glycine 0 N--CA 1.406 -3.312 0 CA-C-N 114.342 -1.299 . . . . 0.0 113.878 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.498 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.534 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.516 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.636 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.595 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1558 ' ' ASN . . . . . 0.479 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.595 ' HB2' ' O ' ' D' 1556 ' ' ASN . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.427 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.557 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.66 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.528 ' HD3' ' OE1' ' D' 1512 ' ' GLU . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.48 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.496 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.58 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.58 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.496 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.436 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.534 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.507 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.27 133.5 19.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 9.9 p -59.65 116.83 18.29 Favored Pre-proline 0 C--N 1.307 -1.271 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.141 -177.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.47 -28.65 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.87 1.713 . . . . 0.0 110.958 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.0 p -92.77 -4.57 52.85 Favored 'General case' 0 C--N 1.278 -2.527 0 CA-C-N 113.511 -1.677 . . . . 0.0 114.336 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.518 ' HG2' ' H ' ' D' 1602 ' ' SER . 74.0 tttt -149.39 -158.51 0.92 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.518 ' H ' ' HG2' ' D' 1601 ' ' LYS . 79.4 p -143.94 110.83 5.68 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 118.577 0.626 . . . . 0.0 111.253 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.57 16.12 27.64 Favored Glycine 0 CA--C 1.468 -2.879 0 CA-C-O 123.087 1.382 . . . . 0.0 110.418 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' D' 1605 ' ' SER . 12.3 tp -120.7 178.22 4.78 Favored 'General case' 0 C--N 1.248 -3.846 0 CA-C-N 112.012 -2.094 . . . . 0.0 107.19 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.489 ' N ' ' HG ' ' D' 1604 ' ' LEU . 51.7 m -156.29 173.99 16.05 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.454 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.533 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' D' 1529 ' ' LEU . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.579 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.458 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? -137.94 118.76 10.37 Favored Pre-proline 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.36 -12.07 34.11 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 121.781 1.654 . . . . 0.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.25 137.37 37.09 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.49 174.8 6.48 Favored 'General case' 0 C--N 1.254 -3.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.33 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -88.24 166.38 34.98 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.23 -42.11 19.13 Favored 'Trans proline' 0 CA--C 1.495 -1.432 0 C-N-CA 123.359 2.706 . . . . 0.0 107.567 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 93.9 m -103.13 -33.96 9.03 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.193 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 76.43 69.44 0.07 Allowed 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.755 1.622 . . . . 0.0 107.459 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.52 HD13 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1630 ' ' ASP . . . . . 0.403 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.403 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.533 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1641 ' ' HIS . . . . . 0.458 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.579 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.546 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.546 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 166.52 -37.68 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.403 ' OE1' ' HA ' ' D' 1648 ' ' GLN . 10.6 mm-40 -83.31 -54.09 5.26 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.843 -178.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.85 -11.8 56.89 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.609 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 17.7 m -63.58 -20.5 65.7 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.227 1.013 . . . . 0.0 108.904 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 60.1 tttm -89.73 -48.61 7.15 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.738 -176.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -110.07 88.56 2.79 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.994 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.52 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -111.08 -3.77 15.34 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.487 ' HA ' ' O ' ' D' 1517 ' ' GLN . 2.2 mp0 -88.82 -170.94 3.11 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.265 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.529 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 41.7 t-80 -131.97 -78.27 0.51 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.526 0.679 . . . . 0.0 109.548 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.16 15.08 28.61 Favored 'General case' 0 C--N 1.282 -2.329 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.402 ' HA ' ' HB3' ' D' 1512 ' ' GLU . 77.6 m-20 73.44 162.3 0.26 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.689 2.396 . . . . 0.0 111.216 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.528 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.529 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.566 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 14.6 m120 -57.76 140.21 81.33 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.515 ' CD ' ' H ' ' D' 1522 ' ' SER . 70.9 Cg_endo -92.75 -4.97 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 N-CA-C 107.452 -1.788 . . . . 0.0 107.452 177.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.515 ' H ' ' CD ' ' D' 1521 ' ' PRO . 12.0 m -113.2 -9.44 13.47 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.479 -2.146 . . . . 0.0 112.096 -176.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.5 m -130.17 -38.39 1.41 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.51 30.7 43.81 Favored Glycine 0 N--CA 1.398 -3.843 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.566 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 43.9 t-80 -100.13 120.6 40.11 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.1 -1.05 . . . . 0.0 108.168 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.78 134.55 35.12 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.472 -176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' D' 1517 ' ' GLN . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.502 HD11 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.553 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.447 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.553 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.497 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.462 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 -121.08 94.58 4.39 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 50.9 m 51.51 -149.42 0.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.708 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 4.62 28.51 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 122.951 1.358 . . . . 0.0 107.37 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1545 ' ' LYS . . . . . 0.473 ' HA ' ' HE3' ' D' 1545 ' ' LYS . 0.0 OUTLIER -77.09 -31.01 55.66 Favored 'General case' 0 CA--C 1.469 -2.153 0 CA-C-N 112.836 -1.984 . . . . 0.0 106.142 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.64 19.36 Favored Glycine 1 N--CA 1.393 -4.187 0 CA-C-N 113.46 -1.7 . . . . 0.0 114.322 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.462 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.565 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.575 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.497 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.501 ' O ' ' HB2' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.548 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.502 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.444 ' HA ' ' OE2' ' D' 1512 ' ' GLU . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.413 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.611 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.611 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.478 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' D' 1608 ' ' SER . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.565 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.89 128.12 23.54 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 47.0 t -85.82 140.82 35.46 Favored Pre-proline 0 C--N 1.285 -2.231 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -62.13 -28.61 79.98 Favored 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 123.69 2.927 . . . . 0.0 113.099 172.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 18.0 m -73.19 -39.25 65.73 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.838 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.418 ' HB3' HD22 ' D' 1604 ' ' LEU . 36.4 ttpt -158.69 142.09 14.96 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 21.9 m -126.87 116.21 20.5 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 122.489 1.138 . . . . 0.0 108.386 -162.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 126.13 -17.23 6.7 Favored Glycine 0 C--N 1.262 -3.57 0 N-CA-C 104.621 -3.392 . . . . 0.0 104.621 -170.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.418 HD22 ' HB3' ' D' 1601 ' ' LYS . 51.1 tp -96.96 172.43 7.86 Favored 'General case' 0 N--CA 1.384 -3.735 0 CA-C-N 108.811 -3.695 . . . . 0.0 105.905 171.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m -160.06 165.76 31.23 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -175.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.606 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1609 ' ' VAL . . . . . 0.431 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.483 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.502 ' CZ ' HD11 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.569 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.474 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 68.0 ttt180 -145.34 119.08 5.46 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -80.33 -8.9 13.92 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.798 2.332 . . . . 0.0 110.686 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.474 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 32.2 mt-10 -82.44 5.79 19.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.891 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -54.67 177.25 0.03 OUTLIER 'General case' 0 C--N 1.252 -3.638 0 CA-C-N 112.689 -2.051 . . . . 0.0 111.723 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -106.31 -169.25 22.96 Favored Glycine 0 N--CA 1.42 -2.376 0 C-N-CA 119.306 -1.426 . . . . 0.0 113.306 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -87.51 -18.34 2.59 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 123.267 2.645 . . . . 0.0 110.686 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 4.0 m -79.32 -63.16 1.48 Allowed 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.376 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.28 77.24 0.34 Allowed 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 125.014 1.325 . . . . 0.0 111.736 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.606 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.483 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.519 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.519 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.571 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -176.39 -44.81 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.02 -67.0 0.87 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.04 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 3.3 p -74.71 -7.99 55.0 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 122.031 0.919 . . . . 0.0 111.44 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -96.13 -14.66 22.65 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.142 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -109.96 -87.71 0.51 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.27 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.259 -3.356 0 CA-C-N 119.426 1.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D 1511 ' ' ASN . . . . . 0.445 ' O ' HG22 ' D' 1518 ' ' VAL . 70.9 m-20 -106.07 79.54 1.42 Allowed 'General case' 0 C--O 1.187 -2.195 0 C-N-CA 119.236 -0.985 . . . . 0.0 109.444 176.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.09 -176.64 3.93 Favored 'General case' 0 C--N 1.256 -3.491 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.871 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -140.97 -87.88 0.17 Allowed 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 116.554 -2.058 . . . . 0.0 112.792 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1514 ' ' ASP . . . . . 0.466 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 4.4 m-20 -96.14 9.41 41.02 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.434 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 70.86 162.13 0.24 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.589 1.956 . . . . 0.0 109.151 -169.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.733 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.539 HG23 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.475 HG22 HD22 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.401 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.2 m120 -67.43 132.7 93.04 Favored Pre-proline 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.533 ' CD ' ' H ' ' D' 1522 ' ' SER . 25.4 Cg_endo -92.72 -9.35 2.28 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 N-CA-C 107.561 -1.746 . . . . 0.0 107.561 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.533 ' H ' ' CD ' ' D' 1521 ' ' PRO . 34.9 t -106.38 -2.18 22.46 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 112.126 -2.307 . . . . 0.0 110.402 -175.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 27.9 m -138.59 -33.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.426 0.631 . . . . 0.0 109.841 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 82.09 20.49 62.82 Favored Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.976 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 70.5 t60 -99.54 133.42 43.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.461 -0.869 . . . . 0.0 109.457 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.475 HD22 HG22 ' D' 1519 ' ' THR . 3.2 tm? -91.77 125.78 36.62 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.523 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.523 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 -106.22 95.32 5.69 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.1 m 54.9 -135.86 1.36 Allowed 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 113.889 -1.505 . . . . 0.0 109.921 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.68 -7.38 16.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.619 0.723 . . . . 0.0 109.181 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -108.92 -23.02 11.92 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.415 -165.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -142.12 164.18 26.91 Favored Glycine 0 C--N 1.267 -3.279 0 C-N-CA 119.301 -1.428 . . . . 0.0 114.256 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.591 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.537 ' SG ' ' HB3' ' D' 1516 ' ' CYS 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.449 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.533 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.561 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.561 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.444 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.2 mp0 -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.733 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.434 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.43 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.527 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.539 ' N ' HG23 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.43 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.425 HG12 ' O ' ' D' 1608 ' ' SER . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.591 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.78 130.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 44.6 t -98.8 115.66 65.68 Favored Pre-proline 0 N--CA 1.436 -1.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.43 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.08 -26.91 77.71 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 124.061 3.174 . . . . 0.0 113.593 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 48.8 m -70.12 -0.97 8.71 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.491 ' HG2' ' H ' ' D' 1602 ' ' SER . 73.1 tttt -160.25 -162.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.491 ' H ' ' HG2' ' D' 1601 ' ' LYS . 20.4 m -141.12 108.8 5.62 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 119.167 0.894 . . . . 0.0 110.359 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.45 19.37 18.51 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.547 ' HG ' ' N ' ' D' 1605 ' ' SER . 22.2 tp -121.31 169.27 10.75 Favored 'General case' 0 N--CA 1.385 -3.722 0 CA-C-N 112.133 -2.033 . . . . 0.0 108.568 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.547 ' N ' ' HG ' ' D' 1604 ' ' LEU . 70.4 m -144.1 176.95 8.92 Favored 'General case' 0 C--N 1.268 -2.978 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1606 ' ' TYR . . . . . 0.568 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' D' 1592 ' ' TYR . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.531 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.475 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.573 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -128.38 132.56 24.42 Favored Pre-proline 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -71.64 -9.05 24.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.197 1.265 . . . . 0.0 110.184 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -95.04 144.97 25.29 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.66 167.92 10.84 Favored 'General case' 0 C--N 1.259 -3.368 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -78.02 170.1 54.79 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.932 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -65.67 -37.19 29.64 Favored 'Trans proline' 0 CA--C 1.501 -1.152 0 C-N-CA 123.39 2.727 . . . . 0.0 108.657 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.41 ' O ' ' HB2' ' D' 1622 ' ' ASN . 82.5 m -119.09 -28.04 5.57 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 112.751 -2.022 . . . . 0.0 110.695 179.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' D' 1621 ' ' THR . 54.1 m-80 79.92 60.97 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 -176.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1625 ' ' MET . . . . . 0.425 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.452 HD13 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1630 ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1632 ' ' GLN . . . . . 0.449 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1633 ' ' THR . . . . . 0.547 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.568 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.416 ' N ' ' HB3' ' D' 1630 ' ' ASP . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.452 ' HB3' HD13 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.475 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.473 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.473 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.573 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.514 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' D' 1651 ' ' LYS . 7.0 tp10 168.22 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -60.05 -62.9 1.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.476 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.39 87.28 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.636 0.732 . . . . 0.0 111.585 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.8 p -80.68 -7.35 59.29 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.112 0.958 . . . . 0.0 110.753 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.522 ' HB2' ' O ' ' D' 1647 ' ' GLU . 7.2 ttpm? -76.12 -37.86 57.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.564 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -108.23 -108.01 0.33 Allowed 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.554 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.656 0 CA-C-N 120.158 1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D 1511 ' ' ASN . . . . . 0.458 ' ND2' ' HB2' ' D' 1582 ' ' ARG . 52.7 t30 -87.26 -72.39 0.52 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -87.79 -178.67 6.11 Favored 'General case' 0 C--N 1.263 -3.191 0 CA-C-N 113.389 -1.732 . . . . 0.0 108.782 176.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -137.96 -96.77 0.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 115.542 -2.463 . . . . 0.0 112.431 -173.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -104.63 19.7 19.94 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 174.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.425 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 73.17 168.79 0.31 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 127.509 2.323 . . . . 0.0 109.861 -172.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.537 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.624 HG22 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.434 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 18.7 m120 -62.32 137.14 95.95 Favored Pre-proline 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.564 ' CD ' ' H ' ' D' 1522 ' ' SER . 12.0 Cg_endo -89.97 -12.26 2.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 N-CA-C 106.839 -2.024 . . . . 0.0 106.839 171.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.564 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.7 m -73.89 -46.78 42.53 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 111.823 -2.444 . . . . 0.0 111.335 -175.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 -29.04 4.29 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.275 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 91.93 22.21 31.17 Favored Glycine 0 N--CA 1.399 -3.824 0 CA-C-N 114.429 -1.259 . . . . 0.0 112.105 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.434 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 79.3 t60 -84.95 138.7 32.33 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.553 -0.323 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.405 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? -92.45 126.34 37.49 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.127 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.537 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' D' 1612 ' ' PHE . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.755 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.415 HD11 ' HB3' ' D' 1529 ' ' LEU . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.755 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.498 ' NH2' ' HA ' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.494 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 -110.1 96.43 6.22 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1543 ' ' SER . . . . . 0.451 ' HB3' ' HG2' ' D' 1545 ' ' LYS . 42.3 t 58.21 -152.97 0.39 Allowed 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -172.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.63 4.28 25.7 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1545 ' ' LYS . . . . . 0.451 ' HG2' ' HB3' ' D' 1543 ' ' SER . 0.1 OUTLIER -102.96 -26.09 13.22 Favored 'General case' 0 CA--C 1.473 -1.998 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.184 -168.534 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -153.64 -177.26 26.94 Favored Glycine 0 N--CA 1.429 -1.778 0 C-N-CA 118.763 -1.684 . . . . 0.0 114.957 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.494 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.564 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.506 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.493 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.538 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.498 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.57 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.448 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1574 ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.485 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.506 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' D' 1515 ' ' ASP . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.482 HD21 ' HG ' ' D' 1529 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.458 ' HB2' ' ND2' ' D' 1511 ' ' ASN . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.624 ' N ' HG22 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.608 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.608 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.485 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.418 ' CG ' ' H ' ' D' 1594 ' ' ASP . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.418 ' H ' ' CG ' ' D' 1593 ' ' LYS . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.7 143.24 17.0 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 12.9 p -74.15 113.59 24.99 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.425 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.66 -39.84 14.69 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.126 1.884 . . . . 0.0 110.568 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.8 m -69.58 -34.92 74.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 113.8 -1.546 . . . . 0.0 112.744 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -128.83 -162.38 1.19 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.254 -171.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 62.4 m -144.54 109.44 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 105.75 13.81 22.93 Favored Glycine 0 CA--C 1.473 -2.568 0 CA-C-O 123.065 1.369 . . . . 0.0 110.297 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' D' 1605 ' ' SER . 17.8 tp -121.03 -179.26 3.97 Favored 'General case' 0 N--CA 1.385 -3.688 0 CA-C-N 111.835 -2.182 . . . . 0.0 107.545 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.455 ' N ' ' HG ' ' D' 1604 ' ' LEU . 37.9 m -160.0 174.43 14.38 Favored 'General case' 0 C--N 1.274 -2.681 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.575 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.5 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1609 ' ' VAL . . . . . 0.43 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.623 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.51 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.505 ' CZ ' HD11 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.554 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.548 ' HG2' ' O ' ' D' 1617 ' ' GLU . 17.5 ttt180 -141.95 111.48 6.17 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.39 -21.93 73.17 Favored 'Trans proline' 0 CA--C 1.512 -0.575 0 C-N-CA 122.071 1.847 . . . . 0.0 112.828 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' D' 1615 ' ' ARG . 0.9 OUTLIER -95.86 155.15 16.87 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.598 174.54 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.14 168.74 10.57 Favored 'General case' 0 C--N 1.262 -3.235 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.447 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -81.31 167.9 49.65 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -63.97 -34.6 58.81 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 123.626 2.884 . . . . 0.0 108.79 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 41.0 m -113.77 -34.9 5.33 Favored 'General case' 0 C--N 1.283 -2.29 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.999 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 74.87 63.48 0.07 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.499 1.52 . . . . 0.0 108.007 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.497 HD13 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.575 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.423 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.51 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 27.2 m80 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.738 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.554 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' D' 1646 ' ' CYS . 16.6 tp10 174.0 -36.48 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -66.05 -66.43 0.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.262 -1.79 . . . . 0.0 112.528 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1649 ' ' ALA . . . . . 0.405 ' C ' ' H ' ' D' 1651 ' ' LYS . . . -93.04 -15.34 26.26 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 122.094 0.95 . . . . 0.0 109.597 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1650 ' ' THR . . . . . 0.591 ' OG1' ' HB2' ' D' 1646 ' ' CYS . 3.4 m -66.28 -11.18 48.89 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.715 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.421 ' HZ2' ' HB2' ' D' 1651 ' ' LYS . 0.2 OUTLIER -72.34 -14.45 61.73 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.589 -178.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -95.08 -67.25 0.86 Allowed 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.116 0 CA-C-N 118.707 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.478 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 16.8 m . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -112.71 -29.48 7.41 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 122.512 1.149 . . . . 0.0 109.357 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' D' 1510 ' ' SER . 0.7 OUTLIER -87.87 -179.61 6.28 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.288 178.204 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.74 -80.46 0.61 Allowed 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 119.178 -1.009 . . . . 0.0 112.082 -174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -100.14 4.49 44.52 Favored 'General case' 0 C--N 1.268 -2.946 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 72.45 161.71 0.25 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 112.477 -2.147 . . . . 0.0 109.934 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -60.32 131.07 90.08 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.519 ' CD ' ' H ' ' D' 1522 ' ' SER . 27.6 Cg_endo -88.99 -10.54 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 107.635 -1.717 . . . . 0.0 107.635 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.519 ' H ' ' CD ' ' D' 1521 ' ' PRO . 8.5 p -100.18 -20.58 15.88 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 111.938 -2.392 . . . . 0.0 112.666 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1523 ' ' THR . . . . . 0.403 ' HB ' ' CB ' ' D' 1520 ' ' ASN . 26.3 m -125.25 -27.38 3.51 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.046 0.927 . . . . 0.0 109.204 -175.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 77.08 24.38 66.56 Favored Glycine 0 N--CA 1.404 -3.439 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.791 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.426 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.8 t-80 -101.17 131.79 46.97 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.953 -0.623 . . . . 0.0 109.778 -177.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.2 tm? -85.15 132.59 34.28 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 122.826 0.45 . . . . 0.0 109.89 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.562 HD12 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.663 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.493 HD11 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.663 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.456 ' NH2' ' HA2' ' D' 1554 ' ' GLY . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.54 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 -91.58 101.27 13.91 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.8 m 56.22 -138.82 0.98 Allowed 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.349 -1.296 . . . . 0.0 107.956 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -107.66 -7.31 16.47 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-O 121.473 0.654 . . . . 0.0 109.747 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -102.82 -34.06 9.14 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.402 -166.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.418 ' HA3' HE21 ' D' 1569 ' ' GLN . . . -125.94 177.3 17.16 Favored Glycine 0 N--CA 1.405 -3.402 0 C-N-CA 118.356 -1.878 . . . . 0.0 115.693 -171.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1549 ' ' TYR . . . . . 0.451 ' HB3' HD22 ' D' 1556 ' ' ASN . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.54 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.539 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1554 ' ' GLY . . . . . 0.456 ' HA2' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.439 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.564 ' O ' ' HB2' ' D' 1559 ' ' CYS . 27.4 t30 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.432 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.564 ' HB2' ' O ' ' D' 1556 ' ' ASN . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.401 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.418 HE21 ' HA3' ' D' 1546 ' ' GLY . 64.8 mm-40 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1572 ' ' ILE . . . . . 0.419 HG21 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.565 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.443 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.562 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.603 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.636 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.443 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.539 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1596 ' ' SER . . . . . 0.419 ' HB2' HG21 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1597 ' ' PRO . . . . . 0.594 ' HA ' ' O ' ' D' 1604 ' ' LEU . 96.7 Cg_exo -49.05 128.46 19.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 42.5 t -96.37 129.75 32.62 Favored Pre-proline 0 N--CA 1.421 -1.919 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -171.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 77.9 Cg_exo -57.68 -33.95 97.45 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.959 3.106 . . . . 0.0 114.751 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 11.8 p -78.91 0.3 27.89 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -173.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.53 -165.0 2.12 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 5.7 m -138.81 108.74 6.32 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.382 0.992 . . . . 0.0 111.41 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 96.68 15.62 39.42 Favored Glycine 0 CA--C 1.461 -3.324 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 171.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.594 ' O ' ' HA ' ' D' 1597 ' ' PRO . 51.2 tp -112.61 178.19 4.38 Favored 'General case' 1 N--CA 1.369 -4.518 0 CA-C-N 111.953 -2.124 . . . . 0.0 108.232 -174.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.468 ' H ' ' CG ' ' D' 1604 ' ' LEU . 40.8 m -156.05 169.86 23.5 Favored 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -174.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.6 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.636 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.497 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.562 ' CZ ' HD12 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.603 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 0.4 OUTLIER -136.61 101.12 9.89 Favored Pre-proline 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.6 -25.69 42.52 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.89 131.87 35.59 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.294 172.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.76 175.19 6.61 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.319 -171.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1619 ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' D' 1620 ' ' PRO . . . -94.55 167.52 27.31 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1620 ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' D' 1619 ' ' GLY . 25.5 Cg_exo -68.28 -39.71 9.64 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 123.826 3.017 . . . . 0.0 110.346 177.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.418 ' O ' ' HB2' ' D' 1622 ' ' ASN . 39.3 m -105.9 -44.6 4.58 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.241 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.418 ' HB2' ' O ' ' D' 1621 ' ' THR . 91.1 m-20 79.5 73.8 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.737 1.615 . . . . 0.0 109.931 -175.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.6 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.497 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' D' 1644 ' ' LEU . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.65 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1644 ' ' LEU . . . . . 0.418 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.508 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.65 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.57 -32.55 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' D' 1651 ' ' LYS . 26.9 mt-30 -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.692 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -88.55 -8.88 54.02 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.34 0.59 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 68.7 m -64.73 -7.38 10.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 124.166 0.986 . . . . 0.0 110.756 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.641 ' HG3' ' OE2' ' D' 1652 ' ' GLU . 22.5 pttp -77.01 -15.71 59.54 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.14 177.412 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1652 ' ' GLU . . . . . 0.641 ' OE2' ' HG3' ' D' 1651 ' ' LYS . 5.0 mp0 -105.62 82.01 1.75 Allowed 'General case' 0 C--O 1.252 1.194 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 121.192 -0.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.44 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.6 -30.01 10.26 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-O 122.087 0.946 . . . . 0.0 110.16 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -156.92 -177.52 6.67 Favored 'General case' 0 C--N 1.255 -3.506 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.546 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -144.25 -89.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -103.4 24.31 11.19 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.45 170.02 0.24 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.431 -169.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.467 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.64 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.491 HG22 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.459 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 0.2 OUTLIER -60.74 128.49 88.74 Favored Pre-proline 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.48 ' CD ' ' H ' ' D' 1522 ' ' SER . 17.9 Cg_endo -84.17 -8.59 9.81 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.429 -1.796 . . . . 0.0 107.429 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.48 ' H ' ' CD ' ' D' 1521 ' ' PRO . 1.5 m -84.44 -33.24 23.71 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 111.565 -2.561 . . . . 0.0 111.528 -175.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 68.3 p -123.46 -30.4 3.66 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.8 0.809 . . . . 0.0 109.555 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 89.28 25.08 29.59 Favored Glycine 0 N--CA 1.408 -3.189 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.167 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.404 ' O ' ' HA ' ' D' 1519 ' ' THR . 4.4 t60 -92.62 120.57 33.18 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.491 ' CD2' HG22 ' D' 1519 ' ' THR . 24.2 mt -76.2 122.42 24.32 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.64 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD11 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.596 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.457 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.596 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.45 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 -85.0 95.12 8.98 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.0 m 56.11 -143.19 0.73 Allowed 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.06 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.13 4.5 24.97 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -107.74 -33.91 7.13 Favored 'General case' 0 CA--C 1.468 -2.205 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.277 -166.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -138.82 175.53 21.45 Favored Glycine 0 C--N 1.28 -2.577 0 C-N-CA 119.052 -1.547 . . . . 0.0 114.637 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.45 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.604 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.407 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.589 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1558 ' ' ASN . . . . . 0.425 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.637 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.424 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.637 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.411 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.516 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1574 ' ' VAL . . . . . 0.422 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.461 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.446 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.437 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.524 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.459 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.48 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.483 ' HA ' ' O ' ' D' 1610 ' ' ILE . 37.3 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.511 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.604 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -48.33 112.74 0.65 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.536 ' HB3' ' O ' ' D' 1601 ' ' LYS . 42.2 t -70.3 138.32 86.74 Favored Pre-proline 0 N--CA 1.415 -2.198 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.493 -170.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -61.12 -39.71 57.0 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 C-N-CA 122.861 2.374 . . . . 0.0 111.905 174.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 3.1 m -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.64 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.536 ' O ' ' HB3' ' D' 1598 ' ' CYS . 34.5 mmtp -139.69 122.43 16.43 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 16.0 m -120.76 109.35 15.07 Favored 'General case' 0 C--N 1.256 -3.48 0 CA-C-O 122.449 1.118 . . . . 0.0 108.745 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 122.37 -13.15 8.92 Favored Glycine 0 CA--C 1.467 -2.956 0 N-CA-C 105.63 -2.988 . . . . 0.0 105.63 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.482 HD22 ' CB ' ' D' 1601 ' ' LYS . 33.5 tp -103.13 170.41 7.98 Favored 'General case' 1 N--CA 1.367 -4.579 0 CA-C-N 109.109 -3.546 . . . . 0.0 105.859 170.102 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.428 ' H ' ' CG ' ' D' 1604 ' ' LEU . 42.4 m -146.06 172.92 12.69 Favored 'General case' 0 C--N 1.249 -3.804 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -171.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1606 ' ' TYR . . . . . 0.422 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.511 ' O ' ' HA ' ' D' 1591 ' ' VAL . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.483 ' O ' ' HA ' ' D' 1589 ' ' GLN . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1611 ' ' SER . . . . . . . . . . . . . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.628 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.401 ' HG3' ' H ' ' D' 1617 ' ' GLU . 0.3 OUTLIER -143.72 114.35 5.55 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.23 -10.37 27.12 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 121.493 1.462 . . . . 0.0 112.221 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' D' 1615 ' ' ARG . 18.9 mt-10 -91.31 138.45 31.57 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.46 -171.95 2.31 Favored 'General case' 0 C--N 1.261 -3.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.735 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -128.5 163.18 22.06 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.45 -43.34 10.78 Favored 'Trans proline' 0 CA--C 1.489 -1.73 0 C-N-CA 123.574 2.849 . . . . 0.0 109.213 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.0 m -104.93 -47.0 4.13 Favored 'General case' 0 C--N 1.275 -2.648 0 CA-C-N 113.216 -1.811 . . . . 0.0 108.234 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.467 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 75.72 78.29 0.1 Allowed 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 112.755 -2.02 . . . . 0.0 106.784 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1624 ' ' PRO . . . . . 0.49 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1625 ' ' MET . . . . . 0.466 ' HA ' ' HE3' ' D' 1625 ' ' MET . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.43 HD11 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.461 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.43 ' HB3' HD11 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1639 ' ' SER . . . . . . . . . . . . . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.49 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.402 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.621 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.628 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.621 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.463 ' O ' ' HE3' ' D' 1651 ' ' LYS . 0.3 OUTLIER -167.69 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -65.02 -46.97 79.09 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.952 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -77.32 -17.87 57.93 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.758 0.789 . . . . 0.0 110.48 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.9 m -76.5 -8.0 56.28 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 122.507 1.146 . . . . 0.0 109.255 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.463 ' HE3' ' O ' ' D' 1647 ' ' GLU . 8.0 mmpt? -80.33 -13.91 58.79 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.828 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -109.62 73.87 0.87 Allowed 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.386 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.257 -3.446 0 CA-C-N 118.957 0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.455 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 19.3 m . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -140.2 11.48 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.261 1.029 . . . . 0.0 111.001 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' D' 1581 ' ' LEU . 1.4 mp0 -84.98 -171.94 3.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.758 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -152.15 -76.28 0.13 Allowed 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.322 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.77 13.83 32.35 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.504 -1.225 . . . . 0.0 107.716 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 63.01 175.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.283 -1.781 . . . . 0.0 110.712 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.571 ' HA ' ' O ' ' D' 1527 ' ' PHE . 19.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.402 HG23 ' N ' ' D' 1583 ' ' TYR . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.429 ' OD1' ' HD2' ' D' 1521 ' ' PRO . 10.1 t-20 -66.39 132.58 94.33 Favored Pre-proline 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.429 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 46.2 Cg_endo -87.72 -1.28 7.38 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 N-CA-C 106.968 -1.974 . . . . 0.0 106.968 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.405 ' H ' ' CD ' ' D' 1521 ' ' PRO . 6.4 t -110.41 -6.81 14.87 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 112.341 -2.209 . . . . 0.0 110.908 -178.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.7 m -131.95 -36.66 1.18 Allowed 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.777 0.798 . . . . 0.0 109.406 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 83.91 20.67 59.05 Favored Glycine 0 N--CA 1.402 -3.581 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 47.3 t60 -98.19 116.03 29.56 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 114.238 -0.981 . . . . 0.0 108.422 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -76.17 128.59 35.25 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.571 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.622 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.622 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.471 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.499 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 -110.57 102.38 10.97 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 15.6 m 55.07 -141.51 0.86 Allowed 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.39 -2.89 18.72 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.39 -33.1 8.74 Favored 'General case' 0 CA--C 1.471 -2.079 0 CA-C-N 113.847 -1.524 . . . . 0.0 110.951 -161.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.591 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -136.98 165.5 25.11 Favored Glycine 0 C--N 1.265 -3.387 0 CA-C-N 114.396 -1.274 . . . . 0.0 113.553 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1549 ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.471 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.607 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.59 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.59 ' HB2' ' O ' ' D' 1556 ' ' ASN . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.562 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1565 ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.463 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.591 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.4 mp0 -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.446 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.496 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.477 ' O ' ' HG3' ' D' 1512 ' ' GLU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.402 ' N ' HG23 ' D' 1518 ' ' VAL . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.52 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.413 ' N ' HG11 ' D' 1587 ' ' VAL . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.629 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.467 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.408 HG12 ' O ' ' D' 1608 ' ' SER . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.607 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.462 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -48.01 115.61 1.57 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' D' 1600 ' ' SER . 50.8 t -75.92 121.2 84.57 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.929 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -70.39 -28.71 21.9 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.199 2.6 . . . . 0.0 111.568 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1600 ' ' SER . . . . . 0.548 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.7 m -66.46 -15.65 63.51 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.075 -1.421 . . . . 0.0 112.625 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.473 ' HG2' ' H ' ' D' 1602 ' ' SER . 17.1 ttmm -148.47 -157.44 0.81 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 175.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.473 ' H ' ' HG2' ' D' 1601 ' ' LYS . 3.9 p -144.37 107.95 4.64 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 119.75 1.159 . . . . 0.0 113.708 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.9 14.65 28.57 Favored Glycine 0 CA--C 1.471 -2.694 0 CA-C-O 123.416 1.564 . . . . 0.0 109.652 171.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.484 ' CG ' ' H ' ' D' 1605 ' ' SER . 45.8 tp -121.25 179.51 4.39 Favored 'General case' 1 N--CA 1.367 -4.609 0 CA-C-N 111.859 -2.17 . . . . 0.0 108.146 -177.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.484 ' H ' ' CG ' ' D' 1604 ' ' LEU . 5.7 m -137.65 170.54 15.9 Favored 'General case' 0 C--N 1.268 -2.974 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.527 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.629 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.527 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.561 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.561 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 -144.34 141.97 18.9 Favored Pre-proline 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' 1615 ' ' ARG . 6.1 Cg_exo -76.13 4.89 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.626 2.217 . . . . 0.0 110.205 172.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.441 ' H ' ' C ' ' D' 1615 ' ' ARG . 28.4 mt-10 -66.19 -12.23 54.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.402 1.881 . . . . 0.0 115.811 -177.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1618 ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' D' 1642 ' ' THR . . . -60.1 176.47 0.32 Allowed 'General case' 0 C--N 1.263 -3.167 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.203 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -159.36 -160.0 10.12 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 118.829 -1.653 . . . . 0.0 113.005 -172.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.71 -26.15 19.72 Favored 'Trans proline' 0 CA--C 1.489 -1.762 0 C-N-CA 124.06 3.173 . . . . 0.0 110.242 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 2.9 m -78.54 -61.92 1.85 Allowed 'General case' 0 C--N 1.267 -3.009 0 CA-C-N 112.451 -2.158 . . . . 0.0 108.244 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 59.82 72.29 0.53 Allowed 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 125.596 1.559 . . . . 0.0 109.089 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1623 ' ' ARG . . . . . 0.499 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.488 HD13 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.45 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.415 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.527 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.464 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.464 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.526 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.427 ' O ' ' HB2' ' D' 1647 ' ' GLU . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' D' 1646 ' ' CYS . 0.2 OUTLIER 177.02 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.408 ' NE2' HD22 ' D' 1520 ' ' ASN . 47.0 mt-30 -79.76 -53.62 6.63 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.603 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.17 -9.32 58.44 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.99 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.2 m -70.03 -10.14 57.65 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 122.446 1.117 . . . . 0.0 109.483 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.3 -7.86 46.8 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.321 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -109.54 -82.46 0.57 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.005 0 CA-C-N 119.425 1.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -166.53 111.18 0.78 Allowed 'General case' 0 CA--C 1.482 -1.669 0 C-N-CA 124.893 1.277 . . . . 0.0 108.073 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.26 159.65 28.71 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -112.73 -82.49 0.59 Allowed 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 117.933 -1.507 . . . . 0.0 110.48 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.62 17.41 24.15 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.576 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 67.49 174.34 0.26 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.176 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.536 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.476 HG23 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.458 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 10.6 m120 -65.54 119.59 61.22 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.486 ' CD ' ' H ' ' D' 1522 ' ' SER . 37.5 Cg_endo -87.49 -9.76 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 121.595 1.53 . . . . 0.0 108.313 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.486 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.4 p -106.41 -11.08 16.06 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 112.469 -2.151 . . . . 0.0 112.247 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.1 m -128.18 -32.38 2.26 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.771 0.796 . . . . 0.0 109.116 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 87.25 17.15 59.51 Favored Glycine 0 N--CA 1.419 -2.441 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.923 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.458 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 67.5 t60 -88.41 136.19 33.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.424 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.433 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -100.62 133.81 44.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.536 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1528 ' ' ASP . . . . . 0.514 ' O ' HD13 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.429 ' HG ' HD21 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.561 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' D' 1529 ' ' LEU . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.561 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1534 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.426 ' HA ' ' O ' ' D' 1555 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.483 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.427 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 -116.78 105.76 12.74 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 48.2 t 57.55 -147.45 0.52 Allowed 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -106.13 -4.09 20.73 Favored 'General case' 0 C--N 1.282 -2.347 0 CA-C-O 121.677 0.751 . . . . 0.0 109.403 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 63.7 pttt -115.5 -24.55 8.29 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.254 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -123.32 159.6 17.94 Favored Glycine 0 N--CA 1.405 -3.424 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.892 -172.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' D' 1539 ' ' THR . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.485 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.679 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.417 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.571 ' HB2' ' O ' ' D' 1556 ' ' ASN . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.401 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1575 ' ' GLY . . . . . 0.413 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.576 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.455 HD11 HD21 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.476 ' HA ' HG23 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.43 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.43 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.563 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.455 HD21 HD11 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.442 HG12 ' O ' ' D' 1608 ' ' SER . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.679 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.443 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1597 ' ' PRO . . . . . 0.455 ' HA ' ' O ' ' D' 1604 ' ' LEU . 50.9 Cg_exo -47.79 123.4 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 48.1 t -95.9 139.8 22.0 Favored Pre-proline 0 C--N 1.295 -1.775 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.376 -173.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.88 -30.09 84.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.075 3.183 . . . . 0.0 113.805 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 16.1 m -61.39 -20.08 62.63 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -155.11 -158.79 0.87 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 48.7 m -141.48 107.12 5.08 Favored 'General case' 0 N--CA 1.42 -1.928 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.23 7.75 39.89 Favored Glycine 0 CA--C 1.476 -2.39 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' D' 1597 ' ' PRO . 51.4 tp -102.63 162.1 13.2 Favored 'General case' 0 N--CA 1.383 -3.776 0 CA-C-N 111.917 -2.142 . . . . 0.0 107.649 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 8.8 m -147.14 168.29 22.01 Favored 'General case' 0 C--N 1.26 -3.284 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -170.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.48 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.449 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.563 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.48 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -140.82 126.4 11.26 Favored Pre-proline 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.77 -19.16 64.35 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.808 1.672 . . . . 0.0 110.909 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -85.42 131.37 34.4 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1618 ' ' ALA . . . . . 0.402 ' HB3' HD22 ' D' 1622 ' ' ASN . . . -97.56 156.09 16.67 Favored 'General case' 0 C--N 1.246 -3.915 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.753 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -77.67 166.97 53.58 Favored Glycine 0 C--N 1.295 -1.719 0 C-N-CA 119.375 -1.393 . . . . 0.0 110.438 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.78 -37.26 21.31 Favored 'Trans proline' 0 CA--C 1.496 -1.386 0 C-N-CA 123.514 2.81 . . . . 0.0 108.551 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.5 m -108.69 -34.1 6.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 112.634 -2.075 . . . . 0.0 110.626 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.402 HD22 ' HB3' ' D' 1618 ' ' ALA . 39.7 m-80 70.75 73.14 0.2 Allowed 'General case' 0 CA--C 1.485 -1.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.355 -170.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.511 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.48 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.539 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.539 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1644 ' ' LEU . . . . . 0.514 HD13 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' D' 1647 ' ' GLU . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' D' 1646 ' ' CYS . 0.6 OUTLIER 176.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -65.85 -63.29 1.12 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.754 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.14 80.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.268 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 57.3 m -71.42 -18.83 62.31 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.138 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 53.2 tptt -97.06 -35.3 10.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.09 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -90.56 74.25 6.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.671 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.247 -3.851 0 CA-C-N 119.337 0.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.241 0.648 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -83.19 -23.97 32.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.73 1.253 . . . . 0.0 107.742 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -173.19 3.63 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.057 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.447 ' C ' ' H ' ' D' 1515 ' ' ASP . 31.3 m80 -146.43 -88.39 0.1 Allowed 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -93.94 19.02 9.53 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.447 ' H ' ' C ' ' D' 1513 ' ' HIS . 13.9 m-20 67.58 168.57 0.25 Allowed 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 127.177 2.191 . . . . 0.0 110.598 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.402 HG23 ' N ' ' D' 1583 ' ' TYR . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -58.59 133.41 85.83 Favored Pre-proline 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.488 ' CD ' ' H ' ' D' 1522 ' ' SER . 86.2 Cg_endo -92.22 -7.3 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 N-CA-C 107.948 -1.597 . . . . 0.0 107.948 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.488 ' H ' ' CD ' ' D' 1521 ' ' PRO . 13.4 m -93.88 -35.6 12.62 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 112.872 -1.967 . . . . 0.0 113.23 -176.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 47.6 p -119.47 -28.83 5.26 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 122.148 0.975 . . . . 0.0 108.822 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 92.56 14.0 56.12 Favored Glycine 1 N--CA 1.395 -4.086 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.951 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -76.37 138.68 40.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt -100.88 134.69 43.49 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.497 ' HG ' HD21 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.611 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.471 HD11 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.611 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.556 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.541 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 -110.36 96.02 5.94 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 60.46 -147.64 0.45 Allowed 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.295 -173.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.57 -3.35 20.86 Favored 'General case' 0 C--N 1.284 -2.283 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 14.9 pttp -107.21 -19.49 13.58 Favored 'General case' 0 CA--C 1.472 -2.054 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.16 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.445 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -152.01 172.52 31.32 Favored Glycine 0 N--CA 1.423 -2.185 0 C-N-CA 118.568 -1.777 . . . . 0.0 113.707 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.541 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.564 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.457 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1554 ' ' GLY . . . . . 0.455 ' C ' ' HB2' ' D' 1577 ' ' ALA . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.496 ' O ' ' HB2' ' D' 1559 ' ' CYS . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.556 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.544 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.452 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.486 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.445 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 7.9 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1575 ' ' GLY . . . . . 0.45 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1577 ' ' ALA . . . . . 0.455 ' HB2' ' C ' ' D' 1554 ' ' GLY . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.497 HD21 ' HG ' ' D' 1529 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.402 ' N ' HG23 ' D' 1518 ' ' VAL . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.618 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.618 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.588 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.42 HG11 ' O ' ' D' 1608 ' ' SER . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.564 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.482 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.01 120.32 2.89 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 50.3 t -86.08 131.73 45.77 Favored Pre-proline 0 N--CA 1.419 -2.008 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.55 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.7 -30.07 84.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.232 2.621 . . . . 0.0 112.631 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1600 ' ' SER . . . . . 0.421 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 32.1 t -65.22 -12.99 57.08 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.425 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -159.98 -160.07 0.77 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.547 ' H ' ' HG3' ' D' 1601 ' ' LYS . 53.7 m -140.68 109.76 6.14 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 118.295 0.498 . . . . 0.0 110.091 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 99.9 20.32 16.87 Favored Glycine 0 CA--C 1.468 -2.882 0 N-CA-C 108.564 -1.815 . . . . 0.0 108.564 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.415 ' CG ' ' H ' ' D' 1605 ' ' SER . 45.1 tp -121.28 177.34 5.21 Favored 'General case' 1 N--CA 1.363 -4.783 0 CA-C-N 111.908 -2.146 . . . . 0.0 107.567 -177.637 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.415 ' H ' ' CG ' ' D' 1604 ' ' LEU . 66.4 m -160.28 176.5 11.64 Favored 'General case' 0 C--N 1.252 -3.636 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.482 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.588 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1611 ' ' SER . . . . . . . . . . . . . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.406 ' CZ ' HD11 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -126.84 113.96 22.3 Favored Pre-proline 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -67.62 -6.02 15.65 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.208 1.938 . . . . 0.0 111.82 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -101.1 147.61 26.02 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.47 171.14 8.87 Favored 'General case' 0 C--N 1.263 -3.195 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.503 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -80.34 -176.59 50.18 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -73.28 -39.22 2.21 Favored 'Trans proline' 0 CA--C 1.502 -1.124 0 C-N-CA 122.799 2.333 . . . . 0.0 109.358 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.422 ' O ' ' HB2' ' D' 1622 ' ' ASN . 95.2 m -117.99 -37.37 3.41 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.11 -1.859 . . . . 0.0 110.792 -179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' 1621 ' ' THR . 60.6 m-80 82.19 67.21 0.02 OUTLIER 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 125.324 1.449 . . . . 0.0 109.03 -176.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1639 ' ' SER . . . . . . . . . . . . . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.482 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.482 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.562 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.54 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.469 ' HA ' ' OE1' ' D' 1647 ' ' GLU . 3.5 tp10 -166.17 -24.81 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.453 ' O ' ' HG3' ' D' 1652 ' ' GLU . 15.0 mm100 -74.69 -57.27 4.03 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.68 67.49 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.814 1.245 . . . . 0.0 113.018 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1650 ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' D' 1647 ' ' GLU . 16.4 p -73.76 -20.97 60.35 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 122.249 1.023 . . . . 0.0 109.428 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -97.18 -7.16 33.11 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.469 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D 1652 ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' D' 1648 ' ' GLN . 42.2 mt-10 -93.83 -66.04 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.112 0 CA-C-N 118.801 0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.247 0.953 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 m-20 75.87 109.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 125.521 1.528 . . . . 0.0 112.428 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -68.8 166.75 16.91 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.589 173.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.438 ' C ' ' H ' ' D' 1515 ' ' ASP . 97.9 m-70 -128.72 -100.08 0.34 Allowed 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 117.608 -1.637 . . . . 0.0 113.067 -170.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.23 8.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.482 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 79.72 167.17 0.18 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 112.422 -2.172 . . . . 0.0 110.886 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.413 HG23 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.482 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -57.92 135.46 83.59 Favored Pre-proline 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.565 ' CD ' ' H ' ' D' 1522 ' ' SER . 18.8 Cg_endo -90.59 -13.82 2.17 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.705 -1.69 . . . . 0.0 107.705 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.565 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.1 p -93.27 -21.53 19.54 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 111.909 -2.405 . . . . 0.0 111.864 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 34.5 m -127.78 -28.6 2.69 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.278 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.45 18.07 76.6 Favored Glycine 0 N--CA 1.415 -2.72 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.166 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.482 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 39.5 t-80 -92.19 132.31 36.74 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.397 -0.901 . . . . 0.0 109.543 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 7.3 tt -93.43 137.28 32.88 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.53 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1528 ' ' ASP . . . . . 0.445 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.578 HD12 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.499 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.451 HD13 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.444 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 -99.26 103.27 15.11 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 85.7 p 48.72 -129.15 1.93 Allowed 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.918 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -108.25 -4.28 17.69 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.541 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -116.3 -33.37 4.99 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.187 -165.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.41 170.13 18.26 Favored Glycine 0 C--N 1.264 -3.417 0 C-N-CA 119.047 -1.549 . . . . 0.0 115.522 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1549 ' ' TYR . . . . . 0.451 ' CE2' ' HA3' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.517 HG21 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.506 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.513 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.444 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.533 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1568 ' ' GLY . . . . . 0.451 ' HA3' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.474 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.427 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.472 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.482 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.436 HD21 ' HG ' ' D' 1529 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.413 ' N ' HG23 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.507 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.601 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.408 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1591 ' ' VAL . . . . . . . . . . . . . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.426 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.426 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1595 ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -50.83 126.76 19.3 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.411 ' SG ' ' HB3' ' D' 1600 ' ' SER . 39.1 t -80.11 116.88 64.51 Favored Pre-proline 0 N--CA 1.439 -0.99 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.25 -177.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.54 -30.78 42.74 Favored 'Trans proline' 0 N--CA 1.484 0.957 0 C-N-CA 123.373 2.716 . . . . 0.0 112.504 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1600 ' ' SER . . . . . 0.411 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 47.6 t -65.36 -29.43 70.15 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.689 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -133.06 -168.57 2.1 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.472 -174.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 46.4 m -140.04 108.71 5.92 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.939 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.07 13.58 33.37 Favored Glycine 0 CA--C 1.473 -2.555 0 CA-C-O 123.405 1.558 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1604 ' ' LEU . . . . . . . . . . . . . 19.5 tp -122.33 160.35 25.54 Favored 'General case' 1 N--CA 1.375 -4.199 0 CA-C-N 111.468 -2.366 . . . . 0.0 108.197 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.449 ' HB3' ' O ' ' D' 1595 ' ' GLY . 20.8 m -140.01 173.65 11.31 Favored 'General case' 0 C--N 1.259 -3.328 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1606 ' ' TYR . . . . . 0.561 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.495 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.466 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.411 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.503 ' HG2' ' H ' ' D' 1617 ' ' GLU . 78.2 ttt180 -142.8 125.48 9.01 Favored Pre-proline 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1616 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' D' 1615 ' ' ARG . 12.7 Cg_exo -70.16 -10.75 28.96 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 121.072 1.181 . . . . 0.0 111.836 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.503 ' H ' ' HG2' ' D' 1615 ' ' ARG . 30.2 mt-10 -100.59 142.23 32.35 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.85 -178.17 4.01 Favored 'General case' 0 C--N 1.256 -3.458 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -122.42 160.02 16.94 Favored Glycine 0 N--CA 1.42 -2.429 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 172.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.17 -44.23 5.28 Favored 'Trans proline' 0 CA--C 1.495 -1.468 0 C-N-CA 123.354 2.703 . . . . 0.0 108.609 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 50.1 m -85.43 -54.23 4.7 Favored 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.006 -1.906 . . . . 0.0 110.032 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 80.51 79.08 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 125.954 1.702 . . . . 0.0 107.713 -174.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1624 ' ' PRO . . . . . 0.439 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.446 HD13 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1633 ' ' THR . . . . . 0.576 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.576 ' HB3' ' O ' ' D' 1633 ' ' THR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.446 ' HB3' HD13 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.572 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.572 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.475 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 170.65 -31.84 0.0 OUTLIER 'General case' 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.527 HE21 ' HA ' ' D' 1648 ' ' GLN . 0.0 OUTLIER -80.7 -65.2 1.04 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.684 178.579 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.85 -8.8 47.06 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -17.88 53.46 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 123.626 0.77 . . . . 0.0 110.43 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' D' 1648 ' ' GLN . 18.7 ptpt -78.85 -8.62 58.99 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.409 -175.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.29 89.26 3.71 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.017 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.462 ' H2 ' ' CD ' ' D' 1512 ' ' GLU . 45.8 m . . . . . 0 N--CA 1.439 -1.001 0 CA-C-O 120.692 0.282 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.53 0.78 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.311 1.053 . . . . 0.0 111.674 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.462 ' CD ' ' H2 ' ' D' 1510 ' ' SER . 0.6 OUTLIER -85.74 -169.02 2.45 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.527 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -116.31 -93.8 0.49 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.47 27.97 6.88 Favored 'General case' 0 C--N 1.278 -2.52 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 74.95 172.1 0.27 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.226 -174.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.467 HG23 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.468 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 14.6 m120 -58.28 141.12 82.99 Favored Pre-proline 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.444 ' CD ' ' H ' ' D' 1522 ' ' SER . 59.1 Cg_endo -91.62 -4.44 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 106.867 -2.013 . . . . 0.0 106.867 175.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.444 ' H ' ' CD ' ' D' 1521 ' ' PRO . 10.5 m -106.9 -21.44 13.02 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.784 -176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 6.1 m -124.55 -36.61 2.6 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.743 0.783 . . . . 0.0 109.191 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1524 ' ' GLY . . . . . 0.416 ' H ' ' HB2' ' D' 1520 ' ' ASN . . . 75.82 33.22 51.73 Favored Glycine 1 N--CA 1.392 -4.3 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 -177.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.433 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 13.7 t60 -102.48 122.08 43.63 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -81.45 125.62 30.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.523 HD12 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.514 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.43 HD11 ' HB3' ' D' 1529 ' ' LEU . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.514 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.558 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1540 ' ' ALA . . . . . 0.437 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 -103.32 93.69 5.11 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 19.5 m 54.46 -148.65 0.46 Allowed 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.624 -172.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -106.51 1.0 25.09 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 62.6 pttt -111.83 -5.65 14.37 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 114.117 -1.401 . . . . 0.0 109.86 -168.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.425 ' HA3' HE21 ' D' 1569 ' ' GLN . . . -154.28 167.22 32.34 Favored Glycine 0 C--N 1.273 -2.942 0 CA-C-N 114.472 -1.24 . . . . 0.0 113.407 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.437 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.442 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.629 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.529 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.485 ' O ' ' HB2' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.558 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1558 ' ' ASN . . . . . 0.603 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.534 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.528 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.425 HE21 ' HA3' ' D' 1546 ' ' GLY . 7.5 tp-100 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.603 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.462 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.529 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1581 ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.467 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.468 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.426 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.49 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' D' 1608 ' ' SER . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.629 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -47.38 139.07 17.33 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 5.0 p -58.21 117.97 23.84 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.872 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1599 ' ' PRO . . . . . 0.467 ' HD2' ' SG ' ' D' 1634 ' ' CYS . 40.6 Cg_endo -65.5 -37.93 27.7 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.163 2.576 . . . . 0.0 113.216 -174.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 7.2 m -114.38 8.24 16.57 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-N 114.382 -1.281 . . . . 0.0 112.547 -172.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 28.4 tttm -141.41 -166.67 2.24 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.255 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 10.3 p -143.11 109.82 5.49 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.76 16.89 22.8 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 123.203 1.446 . . . . 0.0 109.931 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' D' 1605 ' ' SER . 21.8 tp -121.47 -177.9 3.66 Favored 'General case' 1 N--CA 1.377 -4.122 0 CA-C-N 112.011 -2.094 . . . . 0.0 107.919 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.456 ' N ' ' HG ' ' D' 1604 ' ' LEU . 43.0 m -158.11 172.93 17.52 Favored 'General case' 0 C--N 1.275 -2.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.502 ' O ' ' HA ' ' D' 1591 ' ' VAL . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.49 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.468 ' HB3' HG13 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.523 ' CZ ' HD12 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.42 ' HG3' ' H ' ' D' 1617 ' ' GLU . 24.8 tpt180 -141.25 123.0 9.15 Favored Pre-proline 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.8 -13.4 34.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 121.999 1.8 . . . . 0.0 111.345 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' D' 1615 ' ' ARG . 48.5 mm-40 -90.33 135.08 33.9 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-O 121.992 0.901 . . . . 0.0 108.61 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.09 -162.04 0.92 Allowed 'General case' 0 C--N 1.248 -3.828 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.644 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -129.54 168.51 21.04 Favored Glycine 0 C--N 1.291 -1.941 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.7 -38.97 46.18 Favored 'Trans proline' 0 CA--C 1.5 -1.202 0 C-N-CA 123.305 2.67 . . . . 0.0 108.066 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 67.1 m -107.75 -36.34 6.43 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 112.441 -2.163 . . . . 0.0 110.228 177.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.468 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.1 t-20 67.91 74.3 0.3 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 125.649 1.58 . . . . 0.0 107.299 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.437 HD13 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' D' 1599 ' ' PRO . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.407 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.434 ' HB3' HD11 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.405 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.437 ' HB3' HD13 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.468 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.438 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.675 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.675 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -173.61 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.44 -56.53 7.16 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.616 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.65 78.82 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.818 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 5.1 m -68.07 -21.14 65.0 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.046 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -81.36 -28.75 34.3 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.89 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -109.24 -106.14 0.35 Allowed 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.625 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.142 0 CA-C-N 119.759 1.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.417 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 20.5 m . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.88 -0.73 12.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.883 1.325 . . . . 0.0 108.291 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' D' 1510 ' ' SER . 1.3 mp0 -79.93 167.85 19.97 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.04 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.417 ' C ' ' H ' ' D' 1515 ' ' ASP . 83.3 m-70 -124.01 -89.65 0.58 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.353 -176.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.77 13.63 13.89 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.59 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 66.51 -179.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 126.982 2.113 . . . . 0.0 111.802 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.625 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.466 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.484 HG21 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.501 ' HB3' ' N ' ' D' 1524 ' ' GLY . 40.7 t-20 -100.89 129.24 27.78 Favored Pre-proline 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.487 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 91.2 Cg_endo -83.7 -9.09 10.14 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.497 1.465 . . . . 0.0 108.434 -171.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -106.94 -43.86 4.55 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.068 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1523 ' ' THR . . . . . 0.495 ' O ' HG21 ' D' 1523 ' ' THR . 17.2 m -140.21 -5.88 1.25 Allowed 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.755 -165.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1524 ' ' GLY . . . . . 0.501 ' N ' ' HB3' ' D' 1520 ' ' ASN . . . -152.49 56.03 0.44 Allowed Glycine 3 CA--C 1.419 -5.962 0 C-N-CA 116.929 -2.557 . . . . 0.0 111.59 -162.573 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -26.75 173.41 0.0 OUTLIER 'General case' 1 C--N 1.214 -5.298 1 C-N-CA 132.624 4.37 . . . . 0.0 116.4 179.447 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.484 ' N ' HG21 ' D' 1519 ' ' THR . 3.0 tm? -54.11 112.1 0.9 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.755 -175.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.681 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.681 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.555 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.536 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1540 ' ' ALA . . . . . 0.472 ' HB2' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 -82.39 95.49 7.66 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 11.6 m 52.33 -137.62 1.19 Allowed 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 113.759 -1.564 . . . . 0.0 107.425 -172.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.75 2.16 19.87 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 22.7 pttm -112.2 -33.18 6.3 Favored 'General case' 0 CA--C 1.464 -2.335 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.94 -165.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.78 175.16 18.03 Favored Glycine 0 C--N 1.265 -3.378 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.511 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.472 ' HB ' ' HB2' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.536 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.473 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.555 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.524 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.539 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.446 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.472 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.472 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1575 ' ' GLY . . . . . 0.446 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.448 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.625 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.653 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.653 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.709 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.563 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.484 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.513 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.445 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.41 127.5 26.19 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' D' 1600 ' ' SER . 43.6 t -74.5 121.3 84.93 Favored Pre-proline 0 C--N 1.289 -2.034 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -171.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -70.77 -20.77 29.65 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.59 2.86 . . . . 0.0 112.905 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1600 ' ' SER . . . . . 0.48 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.4 m -79.05 -21.67 46.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.423 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -135.96 -165.75 1.76 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 47.4 m -143.37 108.5 4.98 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.188 0.518 . . . . 0.0 111.463 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.64 13.42 32.46 Favored Glycine 0 CA--C 1.471 -2.66 0 CA-C-O 123.302 1.501 . . . . 0.0 109.715 172.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1604 ' ' LEU . . . . . . . . . . . . . 30.0 tp -122.8 172.66 8.29 Favored 'General case' 1 N--CA 1.377 -4.093 0 CA-C-N 111.861 -2.169 . . . . 0.0 108.291 -178.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.5 m -144.44 168.03 21.09 Favored 'General case' 0 C--N 1.27 -2.874 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -173.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.513 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1609 ' ' VAL . . . . . 0.479 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.709 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.601 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.602 ' HB3' ' OE1' ' D' 1617 ' ' GLU . 16.8 mmm180 -137.44 134.3 18.51 Favored Pre-proline 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.08 -11.01 30.67 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 121.576 1.517 . . . . 0.0 111.475 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.602 ' OE1' ' HB3' ' D' 1615 ' ' ARG 0.274 0.2 OUTLIER -102.56 132.8 48.4 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-O 122.485 1.136 . . . . 0.0 112.94 174.32 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.19 157.7 15.78 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.266 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -79.81 159.99 44.52 Favored Glycine 0 N--CA 1.431 -1.678 0 C-N-CA 118.804 -1.665 . . . . 0.0 110.586 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.67 -41.22 15.24 Favored 'Trans proline' 0 CA--C 1.497 -1.35 0 C-N-CA 123.611 2.874 . . . . 0.0 108.481 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.429 HG23 ' HG2' ' D' 1623 ' ' ARG . 21.2 m -88.88 -38.74 14.33 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 113.077 -1.874 . . . . 0.0 109.154 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 67.39 66.84 0.39 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.761 2.024 . . . . 0.0 109.124 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1623 ' ' ARG . . . . . 0.429 ' HG2' HG23 ' D' 1621 ' ' THR . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.455 HD13 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1630 ' ' ASP . . . . . 0.455 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.455 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.455 ' HB3' HD13 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1642 ' ' THR . . . . . . . . . . . . . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1643 ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.601 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' D' 1647 ' ' GLU . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.577 ' O ' ' HB2' ' D' 1651 ' ' LYS . 46.8 tt0 174.0 -43.97 0.01 OUTLIER 'General case' 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -53.22 -66.2 0.43 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.188 -1.369 . . . . 0.0 113.376 -165.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.34 72.69 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.19 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 15.3 t -79.41 -6.4 56.77 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.465 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.577 ' HB2' ' O ' ' D' 1647 ' ' GLU . 74.5 tttt -95.92 -6.49 39.04 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.229 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.32 -86.85 0.31 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.133 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.119 0 CA-C-N 119.777 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -151.73 -68.11 0.17 Allowed 'General case' 0 CA--C 1.481 -1.676 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.32 -165.89 1.25 Allowed 'General case' 1 C--N 1.24 -4.173 0 CA-C-N 112.314 -2.221 . . . . 0.0 108.301 174.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -142.0 -79.32 0.24 Allowed 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 118.667 -1.213 . . . . 0.0 110.069 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.02 17.15 24.76 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 71.44 170.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.054 -1.885 . . . . 0.0 109.934 -170.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.567 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.503 ' HA ' ' O ' ' D' 1527 ' ' PHE . 28.4 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.519 HG23 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.6 135.29 96.3 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.495 ' CD ' ' H ' ' D' 1522 ' ' SER . 72.5 Cg_endo -93.46 -4.86 2.93 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.374 2.049 . . . . 0.0 107.966 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.495 ' H ' ' CD ' ' D' 1521 ' ' PRO . 1.7 p -93.79 -16.25 24.34 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 111.977 -2.374 . . . . 0.0 112.718 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 38.2 p -138.09 -34.55 0.65 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.187 0.994 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 93.42 11.37 58.38 Favored Glycine 0 N--CA 1.405 -3.4 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.971 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -74.62 116.82 15.75 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.442 HD23 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt -86.66 136.13 33.15 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.461 ' HB3' HD11 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.725 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.461 HD11 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.725 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.548 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.48 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1540 ' ' ALA . . . . . 0.416 ' HB2' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 -111.78 98.44 7.4 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 30.8 t 56.35 -142.87 0.74 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -174.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1544 ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' D' 1545 ' ' LYS . 0.0 OUTLIER -107.95 -1.38 20.7 Favored 'General case' 0 C--N 1.268 -2.956 0 CA-C-O 121.707 0.765 . . . . 0.0 112.336 -176.388 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1545 ' ' LYS . . . . . 0.417 ' HB3' ' OE2' ' D' 1544 ' ' GLU . 0.0 OUTLIER -117.95 -18.53 9.46 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.862 -170.28 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.521 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -128.57 159.56 22.05 Favored Glycine 0 C--N 1.263 -3.5 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.742 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.416 ' HB ' ' HB2' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1550 ' ' MET . . . . . 0.43 ' O ' ' HA2' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.548 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.1 t30 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.555 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1561 ' ' PRO . . . . . 0.47 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.555 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.456 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.521 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.4 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1575 ' ' GLY . . . . . 0.42 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.488 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.3 m-80 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.489 HD12 HD21 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG23 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.508 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.53 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.508 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.53 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.489 HD21 HD12 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.459 HG12 ' O ' ' D' 1608 ' ' SER . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.497 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.487 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.3 113.08 1.05 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 47.9 t -64.58 131.84 95.22 Favored Pre-proline 0 N--CA 1.416 -2.125 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -168.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -65.18 -30.19 55.32 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 122.644 2.229 . . . . 0.0 111.855 173.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 15.0 m -84.72 -18.14 36.15 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.01 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.444 ' HB3' HD22 ' D' 1604 ' ' LEU . 0.0 OUTLIER -160.4 144.81 14.28 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 178.652 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 8.4 t -131.98 120.54 22.6 Favored 'General case' 0 C--N 1.274 -2.687 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -164.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 113.7 -5.4 24.38 Favored Glycine 0 C--N 1.27 -3.12 0 N-CA-C 105.757 -2.937 . . . . 0.0 105.757 -173.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.444 HD22 ' HB3' ' D' 1601 ' ' LYS . 40.9 tp -115.75 173.44 6.55 Favored 'General case' 1 N--CA 1.349 -5.48 0 CA-C-N 109.15 -3.525 . . . . 0.0 105.796 174.041 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m -158.74 174.61 14.76 Favored 'General case' 0 C--N 1.247 -3.881 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.497 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.499 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.433 ' CZ ' HD12 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -139.13 123.29 11.23 Favored Pre-proline 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -62.46 -18.11 61.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.113 1.876 . . . . 0.0 110.88 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.45 134.69 33.56 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.82 172.97 7.54 Favored 'General case' 0 C--N 1.258 -3.374 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.764 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1619 ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' D' 1620 ' ' PRO . . . -87.33 166.94 36.96 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 176.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1620 ' ' PRO . . . . . 0.401 ' HD3' ' HA3' ' D' 1619 ' ' GLY . 26.7 Cg_exo -66.91 -38.32 17.21 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 123.311 2.674 . . . . 0.0 108.781 178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.427 ' HB ' ' HG3' ' D' 1623 ' ' ARG . 79.3 m -112.47 -27.29 8.31 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.543 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' D' 1621 ' ' THR . 53.0 m-80 71.57 72.61 0.17 Allowed 'General case' 0 CA--C 1.494 -1.173 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.131 -170.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1623 ' ' ARG . . . . . 0.427 ' HG3' ' HB ' ' D' 1621 ' ' THR . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.514 HD13 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.514 ' OG ' HD13 ' D' 1627 ' ' ILE . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1642 ' ' THR . . . . . . . . . . . . . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.589 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.589 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -161.19 -36.21 0.05 OUTLIER 'General case' 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -87.81 -41.04 13.54 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.738 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -54.05 -35.06 61.6 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 124.569 1.148 . . . . 0.0 113.167 -178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 2.1 p -78.57 -22.92 46.42 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 122.825 1.298 . . . . 0.0 109.562 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.18 -6.88 58.9 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.554 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -102.79 -82.38 0.49 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.182 0 CA-C-N 119.757 1.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.244 0.811 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 80.61 -8.63 1.45 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.119 1.767 . . . . 0.0 112.218 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -167.71 1.57 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.461 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 27.6 t-80 -144.86 -87.61 0.11 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.167 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -101.87 23.97 10.63 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 69.95 167.4 0.29 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 112.024 -2.353 . . . . 0.0 109.821 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.551 ' HA ' ' O ' ' D' 1527 ' ' PHE . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.545 HG23 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.476 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -67.32 132.39 93.26 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.568 ' CD ' ' H ' ' D' 1522 ' ' SER . 10.1 Cg_endo -87.17 -16.65 3.24 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 N-CA-C 107.974 -1.587 . . . . 0.0 107.974 176.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.568 ' H ' ' CD ' ' D' 1521 ' ' PRO . 6.5 m -79.34 -38.96 33.88 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 112.027 -2.351 . . . . 0.0 112.539 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 35.4 p -122.83 -24.52 4.81 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-O 121.733 0.778 . . . . 0.0 109.885 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 84.36 22.31 54.54 Favored Glycine 1 N--CA 1.392 -4.276 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.476 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.0 t-80 -82.07 130.74 35.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.841 -0.679 . . . . 0.0 109.634 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.459 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -93.48 133.01 37.22 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.551 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.407 ' HB3' HD11 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.672 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.407 HD11 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.672 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -94.79 102.29 14.15 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 34.4 m 56.65 -140.08 0.88 Allowed 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.198 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.18 -0.81 20.75 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-O 121.34 0.59 . . . . 0.0 109.59 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -34.91 6.07 Favored 'General case' 0 CA--C 1.464 -2.361 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.172 -168.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.35 -176.73 14.6 Favored Glycine 0 C--N 1.278 -2.681 0 C-N-CA 118.619 -1.753 . . . . 0.0 115.115 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.471 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.682 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.618 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1554 ' ' GLY . . . . . 0.418 ' H ' ' C ' ' D' 1552 ' ' ILE . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.501 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.548 ' O ' ' HB2' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.548 ' HB2' ' O ' ' D' 1556 ' ' ASN . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.424 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.524 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.535 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.475 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.545 ' N ' HG23 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.719 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 31.3 mm-40 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.456 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.0 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.475 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' D' 1608 ' ' SER . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.682 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.461 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.02 124.76 6.16 Favored 'Trans proline' 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 52.6 t -94.35 110.56 49.36 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.063 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.67 -27.05 31.88 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 124.743 3.629 . . . . 0.0 115.186 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 33.9 t -55.8 -25.77 43.06 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.175 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.568 ' HG2' ' H ' ' D' 1602 ' ' SER . 61.9 tttp -145.69 -164.15 1.89 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.568 ' H ' ' HG2' ' D' 1601 ' ' LYS . 8.4 t -142.79 112.69 6.99 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.47 17.7 16.69 Favored Glycine 0 CA--C 1.48 -2.138 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.539 HD13 ' SG ' ' D' 1634 ' ' CYS . 17.0 tp -120.3 158.63 26.65 Favored 'General case' 0 N--CA 1.381 -3.881 0 CA-C-N 111.769 -2.215 . . . . 0.0 107.412 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m -141.35 171.82 13.54 Favored 'General case' 0 C--N 1.27 -2.872 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1606 ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.46 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.527 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.719 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -143.64 124.06 7.81 Favored Pre-proline 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.78 -0.7 10.19 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.763 2.308 . . . . 0.0 109.376 171.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . 0.274 35.3 tt0 -71.98 -12.98 61.49 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 128.917 2.887 . . . . 0.0 110.536 -179.486 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1618 ' ' ALA . . . . . 0.49 ' CB ' ' HD3' ' D' 1643 ' ' PRO . . . -55.49 168.2 0.42 Allowed 'General case' 0 C--N 1.269 -2.927 0 CA-C-N 112.537 -2.119 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -115.88 -177.82 18.36 Favored Glycine 0 N--CA 1.416 -2.649 0 C-N-CA 119.155 -1.498 . . . . 0.0 112.424 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.08 -19.28 12.31 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.626 2.884 . . . . 0.0 109.996 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 10.7 m -80.0 -62.62 1.63 Allowed 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 112.095 -2.32 . . . . 0.0 109.368 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 76.04 82.94 0.09 Allowed 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.397 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1626 ' ' LEU . . . . . 0.41 HD13 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.467 HD11 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.555 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.46 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.467 ' HB3' HD11 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.527 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.447 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.447 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.49 ' HD3' ' CB ' ' D' 1618 ' ' ALA . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.548 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' D' 1646 ' ' CYS . 12.5 tp10 177.12 -30.52 0.0 OUTLIER 'General case' 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.45 -49.57 7.51 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.964 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.26 -13.23 60.42 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.365 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 27.8 m -69.14 -12.87 62.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.394 1.092 . . . . 0.0 109.663 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -70.16 -49.43 50.63 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.005 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -104.71 86.13 2.43 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.183 0 CA-C-N 119.168 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.79 6.5 48.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.652 1.215 . . . . 0.0 108.195 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 69.95 -74.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.433 1.893 . . . . 0.0 109.047 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.507 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 19.8 t-80 -145.95 -99.14 0.1 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -102.32 20.87 16.05 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 68.99 169.22 0.29 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 127.237 2.215 . . . . 0.0 109.038 -170.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.572 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.507 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.402 ' HA ' ' O ' ' D' 1525 ' ' HIS . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.551 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -58.4 138.76 85.14 Favored Pre-proline 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.528 ' CD ' ' H ' ' D' 1522 ' ' SER . 61.2 Cg_endo -90.22 -9.25 3.72 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.94 -1.6 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.528 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.6 m -111.1 -12.29 14.18 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.579 -2.1 . . . . 0.0 111.344 -175.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1523 ' ' THR . . . . . 0.43 ' HB ' ' CB ' ' D' 1520 ' ' ASN . 10.7 m -125.87 -35.71 2.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.86 25.47 60.15 Favored Glycine 0 N--CA 1.399 -3.77 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.508 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 54.6 t-80 -97.22 120.17 37.08 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.47 128.19 34.03 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.532 HD11 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.436 HD11 ' HB3' ' D' 1529 ' ' LEU . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.481 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 -99.58 93.71 6.0 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 33.9 m 51.78 -143.12 0.69 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.402 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.65 1.6 25.26 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 124.311 1.045 . . . . 0.0 110.548 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1545 ' ' LYS . . . . . 0.451 ' HZ3' ' HB2' ' D' 1545 ' ' LYS . 0.0 OUTLIER -109.32 -23.58 11.5 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.921 -170.733 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.482 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -142.63 159.5 27.26 Favored Glycine 0 C--N 1.276 -2.771 0 C-N-CA 118.932 -1.604 . . . . 0.0 114.433 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1549 ' ' TYR . . . . . 0.447 ' HB3' HD22 ' D' 1556 ' ' ASN . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.481 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.666 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.489 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.65 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.5 t30 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.672 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.435 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.595 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.447 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.672 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.482 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.6 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.458 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.572 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.461 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.429 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.551 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.524 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.524 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' D' 1582 ' ' ARG . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.599 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.481 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.666 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.521 ' HZ1' ' HB2' ' D' 1593 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.42 111.66 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 42.5 t -68.34 128.16 93.16 Favored Pre-proline 0 N--CA 1.427 -1.614 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.247 -172.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -58.35 -25.43 72.94 Favored 'Trans proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.347 3.365 . . . . 0.0 113.848 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.4 m -66.66 -16.36 64.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.79 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.43 ' HB2' HD22 ' D' 1604 ' ' LEU . 34.9 mmtm -157.66 -162.46 1.18 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 124.208 1.003 . . . . 0.0 109.026 -177.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 51.0 m -141.92 107.87 5.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 108.86 3.25 32.05 Favored Glycine 0 CA--C 1.475 -2.416 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.43 HD22 ' HB2' ' D' 1601 ' ' LYS . 28.0 tp -108.61 164.27 12.51 Favored 'General case' 0 C--N 1.269 -2.92 0 CA-C-N 111.406 -2.397 . . . . 0.0 107.486 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.414 ' N ' ' HG ' ' D' 1604 ' ' LEU . 48.8 m -153.87 175.46 13.31 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -172.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.492 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.599 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.487 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.557 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.431 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 -146.43 136.49 11.98 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.62 4.17 2.29 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.976 2.451 . . . . 0.0 111.613 172.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.418 ' OE1' ' HB3' ' D' 1615 ' ' ARG . 2.7 mp0 -59.85 -17.46 36.72 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.528 1.531 . . . . 0.0 114.89 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1618 ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' D' 1642 ' ' THR . . . -57.17 142.93 40.97 Favored 'General case' 0 C--N 1.261 -3.263 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -99.03 -162.49 29.71 Favored Glycine 0 N--CA 1.415 -2.716 0 C-N-CA 119.878 -1.154 . . . . 0.0 111.367 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.07 -27.52 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 123.063 2.508 . . . . 0.0 109.031 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 5.3 m -79.0 -60.02 2.55 Favored 'General case' 0 C--N 1.269 -2.911 0 CA-C-N 112.089 -2.323 . . . . 0.0 111.118 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 78.0 80.94 0.07 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 125.392 1.477 . . . . 0.0 109.713 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.409 ' SG ' HD23 ' D' 1604 ' ' LEU . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.505 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1641 ' ' HIS . . . . . 0.431 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 55.9 m80 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.505 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.578 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.557 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.578 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' D' 1646 ' ' CYS . 9.5 tp10 174.01 -35.01 0.0 OUTLIER 'General case' 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.514 ' CG ' ' H ' ' D' 1649 ' ' ALA . 6.9 pt20 -100.67 -65.77 0.95 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.246 -1.797 . . . . 0.0 113.371 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1649 ' ' ALA . . . . . 0.514 ' H ' ' CG ' ' D' 1648 ' ' GLN . . . -82.03 -5.85 58.69 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.699 1.6 . . . . 0.0 112.465 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.5 m -45.99 -25.6 0.58 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.093 1.357 . . . . 0.0 113.064 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -6.87 47.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.955 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -98.81 73.39 2.0 Allowed 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.245 -3.957 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.59 12.09 0.13 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.401 1.096 . . . . 0.0 110.485 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 -169.53 1.76 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 69.8 t60 -144.66 -74.78 0.24 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.312 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.02 10.82 36.21 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 68.58 176.65 0.27 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.596 -171.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.559 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' D' 1527 ' ' PHE . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.519 HG23 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.48 ' HA ' ' O ' ' D' 1525 ' ' HIS . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.81 130.32 92.31 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.51 ' CD ' ' H ' ' D' 1522 ' ' SER . 60.2 Cg_endo -90.76 -6.04 4.29 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 121.839 1.693 . . . . 0.0 107.954 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.51 ' H ' ' CD ' ' D' 1521 ' ' PRO . 4.9 p -108.35 -4.46 17.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 112.011 -2.359 . . . . 0.0 111.854 -176.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.4 m -138.93 -33.91 0.62 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.532 0.682 . . . . 0.0 109.761 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 85.66 21.17 54.53 Favored Glycine 0 N--CA 1.423 -2.217 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.268 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.48 ' O ' ' HA ' ' D' 1519 ' ' THR . 11.2 t60 -88.95 126.71 35.52 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.435 HD22 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? -93.82 126.85 39.25 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.436 HD11 ' CZ ' ' D' 1612 ' ' PHE . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.637 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.433 HD11 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.637 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.543 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.408 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1540 ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 -84.94 103.07 13.66 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 43.3 m 57.89 -131.63 1.34 Allowed 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.384 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.74 -14.14 14.86 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 62.5 mttm -101.01 -33.75 10.04 Favored 'General case' 0 CA--C 1.464 -2.334 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.826 -154.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.543 ' HA2' HE21 ' D' 1569 ' ' GLN . . . -138.21 -173.47 12.97 Favored Glycine 0 C--N 1.26 -3.682 0 C-N-CA 118.453 -1.832 . . . . 0.0 114.31 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.431 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.654 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.555 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.528 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.543 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1558 ' ' ASN . . . . . 0.439 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.564 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.667 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.543 HE21 ' HA2' ' D' 1546 ' ' GLY . 61.4 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.555 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.406 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.471 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG23 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.691 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.471 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.644 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.411 ' HB2' HD12 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' D' 1608 ' ' SER . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.654 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.415 ' HG3' HG11 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.48 122.7 5.99 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 42.1 t -82.99 132.26 51.43 Favored Pre-proline 0 N--CA 1.414 -2.243 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -171.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -65.37 -33.31 48.12 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.861 2.374 . . . . 0.0 112.039 172.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.4 m -80.51 -23.58 39.99 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.159 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 21.7 tptp -146.44 132.96 19.73 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 19.8 m -109.55 109.59 20.42 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-O 121.854 0.835 . . . . 0.0 111.1 -158.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.95 11.87 29.07 Favored Glycine 0 CA--C 1.46 -3.396 0 N-CA-C 108.387 -1.885 . . . . 0.0 108.387 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.455 ' CG ' ' H ' ' D' 1605 ' ' SER . 43.9 tp -120.34 176.76 5.31 Favored 'General case' 1 N--CA 1.356 -5.125 0 CA-C-N 111.385 -2.408 . . . . 0.0 107.076 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.455 ' H ' ' CG ' ' D' 1604 ' ' LEU . 14.5 m -143.35 168.09 20.63 Favored 'General case' 0 C--N 1.269 -2.893 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 -172.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.533 ' O ' ' HA ' ' D' 1591 ' ' VAL . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.644 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.52 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.436 ' CZ ' HD11 ' D' 1529 ' ' LEU . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.691 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -140.98 128.26 11.98 Favored Pre-proline 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.39 -1.28 9.96 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 121.977 1.785 . . . . 0.0 110.901 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -102.46 138.88 38.79 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.13 170.35 9.18 Favored 'General case' 0 C--N 1.255 -3.514 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.385 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -86.96 170.47 41.6 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.65 -39.83 19.66 Favored 'Trans proline' 0 CA--C 1.501 -1.17 0 C-N-CA 123.347 2.698 . . . . 0.0 108.454 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 95.7 m -115.66 -30.91 6.01 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 112.511 -2.131 . . . . 0.0 109.805 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 76.14 73.72 0.08 Allowed 'General case' 0 CA--C 1.479 -1.75 0 CA-C-N 113.925 -1.489 . . . . 0.0 108.536 -172.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.404 HD11 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.486 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.404 ' HB3' HD11 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.52 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1642 ' ' THR . . . . . . . . . . . . . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.663 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.663 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -173.24 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.05 -42.59 47.15 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.463 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.0 m -72.1 -16.1 62.01 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.553 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 60.8 tttm -74.47 -25.49 59.42 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.941 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.16 -99.02 0.39 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.951 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.55 0 CA-C-N 119.251 0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.554 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 35.9 m . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -99.4 -29.91 12.5 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.75 1.262 . . . . 0.0 108.468 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' D' 1510 ' ' SER . 0.9 OUTLIER -89.17 -169.36 2.48 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 112.832 -1.985 . . . . 0.0 109.691 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.416 ' HB3' ' H ' ' D' 1514 ' ' ASP . 24.7 t-80 -119.45 -93.07 0.52 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.826 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1514 ' ' ASP . . . . . 0.416 ' H ' ' HB3' ' D' 1513 ' ' HIS . 11.4 m-20 -104.19 29.07 6.25 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 171.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.427 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 71.13 170.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 112.399 -2.182 . . . . 0.0 110.244 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' D' 1527 ' ' PHE . 36.5 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.611 HG23 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.445 HG22 HD21 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.428 ' HB2' ' H ' ' D' 1525 ' ' HIS . 15.9 m120 -62.03 129.01 91.6 Favored Pre-proline 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.515 ' CD ' ' H ' ' D' 1522 ' ' SER . 25.5 Cg_endo -90.67 -8.86 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 121.829 1.686 . . . . 0.0 108.303 179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.515 ' H ' ' CD ' ' D' 1521 ' ' PRO . 16.0 m -93.47 -25.73 17.5 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.966 -176.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 44.5 p -129.51 -23.6 2.88 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.836 0.826 . . . . 0.0 110.857 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.07 37.76 24.37 Favored Glycine 0 N--CA 1.404 -3.459 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.985 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1525 ' ' HIS . . . . . 0.428 ' H ' ' HB2' ' D' 1520 ' ' ASN . 34.4 t-80 -102.73 143.6 32.17 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.501 -1.349 . . . . 0.0 108.405 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.445 HD21 HG22 ' D' 1519 ' ' THR . 3.2 tm? -102.14 133.47 46.93 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.587 HD12 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.49 HD11 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.498 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.563 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.539 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.24 98.89 12.04 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 14.9 m 60.16 -142.95 0.54 Allowed 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -107.55 -6.27 17.08 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 17.9 pttp -103.46 -23.75 13.51 Favored 'General case' 0 CA--C 1.472 -2.029 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.106 -163.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.562 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -142.82 -179.26 19.43 Favored Glycine 0 CA--C 1.467 -2.925 0 C-N-CA 117.89 -2.1 . . . . 0.0 114.128 176.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.539 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.498 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.492 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.563 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.442 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1558 ' ' ASN . . . . . 0.491 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.498 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.433 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.491 ' HB3' ' ND2' ' D' 1558 ' ' ASN . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.412 ' CZ ' HG13 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.562 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 50.0 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1574 ' ' VAL . . . . . 0.412 HG13 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.464 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.615 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.437 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.577 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.611 ' N ' HG23 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.602 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.602 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.577 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.674 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.48 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.516 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' D' 1594 ' ' ASP . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' D' 1593 ' ' LYS . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.43 140.01 54.49 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 6.9 p -61.46 112.64 6.31 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 123.996 0.919 . . . . 0.0 112.007 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 -30.17 10.07 Favored 'Trans proline' 0 CA--C 1.511 -0.636 0 C-N-CA 122.351 2.034 . . . . 0.0 112.294 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.6 m -103.88 -0.49 29.04 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.731 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -141.29 -168.91 2.74 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 26.6 t -144.75 111.9 5.97 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.025 0.441 . . . . 0.0 111.549 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.62 15.82 21.69 Favored Glycine 0 CA--C 1.474 -2.491 0 CA-C-O 123.387 1.548 . . . . 0.0 109.908 172.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.414 ' CG ' ' H ' ' D' 1605 ' ' SER . 29.0 tp -122.44 -176.36 3.36 Favored 'General case' 0 N--CA 1.38 -3.971 0 CA-C-N 111.681 -2.26 . . . . 0.0 108.733 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.414 ' H ' ' CG ' ' D' 1604 ' ' LEU . 49.5 m -161.5 175.36 12.22 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.576 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.516 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.674 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.498 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.587 ' CZ ' HD12 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.508 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.451 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 55.2 ttt180 -146.76 104.86 3.93 Favored Pre-proline 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.0 -4.43 15.13 Favored 'Trans proline' 0 CA--C 1.55 1.292 0 C-N-CA 122.714 2.276 . . . . 0.0 112.502 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.451 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 24.2 mt-10 -84.59 11.8 8.18 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.043 1.337 . . . . 0.0 112.471 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -54.44 178.5 0.03 OUTLIER 'General case' 0 C--N 1.253 -3.608 0 C-N-CA 126.538 1.935 . . . . 0.0 113.475 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -105.23 -173.35 24.21 Favored Glycine 0 N--CA 1.426 -1.974 0 C-N-CA 119.21 -1.472 . . . . 0.0 112.84 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -79.38 -31.93 1.91 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 123.205 2.603 . . . . 0.0 110.256 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 19.7 m -79.12 -50.45 11.0 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.274 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 70.15 77.27 0.2 Allowed 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.363 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1624 ' ' PRO . . . . . 0.429 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.576 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1638 ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.498 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.429 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.762 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.762 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -176.67 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -76.62 -57.86 3.61 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.709 -1.587 . . . . 0.0 109.152 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.49 64.33 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.061 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 10.7 m -64.11 -24.07 67.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.334 1.064 . . . . 0.0 109.89 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -17.35 26.13 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.305 -176.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.3 86.59 2.33 Favored 'General case' 0 N--CA 1.419 -1.997 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.124 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.244 -3.994 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.415 ' C ' ' H ' ' D' 1512 ' ' GLU . 43.6 m . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 64.7 t30 67.41 2.43 2.88 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 125.441 1.497 . . . . 0.0 111.493 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.423 ' H ' ' HG2' ' D' 1512 ' ' GLU . 5.7 pt-20 -83.73 175.08 9.93 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 113.845 -1.525 . . . . 0.0 109.568 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1513 ' ' HIS . . . . . 0.47 ' C ' ' H ' ' D' 1515 ' ' ASP . 34.1 m-70 -132.94 -99.18 0.28 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.274 -0.971 . . . . 0.0 112.716 -174.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.97 25.28 6.15 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 68.94 161.87 0.21 Allowed 'General case' 0 CA--C 1.494 -1.207 0 C-N-CA 127.929 2.492 . . . . 0.0 110.038 -175.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.486 ' HG3' ' O ' ' D' 1515 ' ' ASP . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.541 HG23 ' N ' ' D' 1583 ' ' TYR . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 -64.28 142.18 98.27 Favored Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.53 ' CD ' ' H ' ' D' 1522 ' ' SER . 69.7 Cg_endo -93.94 -11.3 1.4 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.806 1.671 . . . . 0.0 108.252 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.53 ' H ' ' CD ' ' D' 1521 ' ' PRO . 35.4 t -86.14 -35.19 20.31 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.935 -175.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 45.9 p -125.49 -33.62 2.77 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-O 122.205 1.002 . . . . 0.0 108.933 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 94.65 11.92 56.32 Favored Glycine 1 N--CA 1.394 -4.146 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.477 -178.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 60.5 t60 -66.84 131.55 46.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.544 179.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.446 HD21 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER -89.58 128.57 36.04 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 -178.602 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.428 ' HB3' HD11 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.558 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.428 HD11 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.498 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1542 ' ' TYR . . . . . 0.581 ' OH ' HD21 ' D' 1629 ' ' LEU . 14.4 t80 -95.24 94.79 8.09 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.2 m 51.46 -146.03 0.49 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.295 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.9 5.54 28.45 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -87.05 -22.59 25.36 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.279 -173.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 166.73 -156.06 27.67 Favored Glycine 0 C--N 1.285 -2.253 0 CA-C-N 113.781 -1.554 . . . . 0.0 114.327 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1550 ' ' MET . . . . . 0.405 ' HE1' ' HG3' ' D' 1624 ' ' PRO . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.498 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.47 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1554 ' ' GLY . . . . . 0.416 ' C ' ' HB2' ' D' 1577 ' ' ALA . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.55 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.6 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.6 ' HB2' ' O ' ' D' 1556 ' ' ASN . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.456 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.574 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.479 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.584 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1571 ' ' ARG . . . . . 0.584 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1573 ' ' SER . . . . . 0.451 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1575 ' ' GLY . . . . . 0.466 ' HA2' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.484 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1577 ' ' ALA . . . . . 0.416 ' HB2' ' C ' ' D' 1554 ' ' GLY . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.441 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.417 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.5 ' O ' ' HA ' ' D' 1588 ' ' LEU 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.541 ' N ' HG23 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.519 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.466 HE22 ' HG2' ' D' 1648 ' ' GLN . 14.4 mm100 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.519 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.5 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.649 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.464 HG12 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.511 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.76 118.45 4.47 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 49.1 t -85.64 132.78 43.43 Favored Pre-proline 0 C--N 1.287 -2.144 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.876 -169.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -62.14 -25.8 77.48 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.741 2.961 . . . . 0.0 113.603 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -18.09 45.36 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' D' 1602 ' ' SER . 76.6 tttt -160.54 -154.52 0.38 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.538 ' H ' ' HG2' ' D' 1601 ' ' LYS . 2.6 p -142.88 109.38 5.37 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 118.07 0.395 . . . . 0.0 110.528 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.66 23.59 8.72 Favored Glycine 0 CA--C 1.475 -2.437 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.545 HD23 ' SG ' ' D' 1634 ' ' CYS . 30.3 tp -121.84 172.47 8.15 Favored 'General case' 0 N--CA 1.383 -3.816 0 CA-C-N 112.155 -2.022 . . . . 0.0 108.225 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1605 ' ' SER . . . . . 0.41 ' O ' ' HB2' ' D' 1634 ' ' CYS . 26.7 m -158.26 169.77 23.75 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -173.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.511 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1609 ' ' VAL . . . . . 0.401 HG11 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.464 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.415 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.449 ' HG2' ' H ' ' D' 1617 ' ' GLU . 64.4 ttt180 -129.29 128.02 23.21 Favored Pre-proline 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.33 -11.5 26.76 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 120.973 1.116 . . . . 0.0 110.677 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.449 ' H ' ' HG2' ' D' 1615 ' ' ARG . 11.8 mt-10 -99.25 146.92 25.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.1 170.15 9.47 Favored 'General case' 0 C--N 1.266 -3.042 0 CA-C-O 120.713 0.292 . . . . 0.0 110.629 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -82.01 168.58 49.09 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.59 -39.77 20.13 Favored 'Trans proline' 0 CA--C 1.495 -1.429 0 C-N-CA 123.691 2.927 . . . . 0.0 109.251 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 89.7 m -114.34 -43.51 3.19 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.191 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 88.43 68.33 0.01 OUTLIER 'General case' 0 CA--C 1.472 -2.031 0 CA-C-N 112.945 -1.934 . . . . 0.0 108.417 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1624 ' ' PRO . . . . . 0.405 ' HG3' ' HE1' ' D' 1550 ' ' MET . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1629 ' ' LEU . . . . . 0.581 HD21 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.545 ' SG ' HD23 ' D' 1604 ' ' LEU . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.464 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.402 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' D' 1647 ' ' GLU . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.453 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.7 tp10 170.3 -20.37 0.0 OUTLIER 'General case' 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.466 ' HG2' HE22 ' D' 1586 ' ' GLN . 1.7 mp0 -71.09 -66.61 0.59 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.86 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -84.52 -27.85 27.1 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.038 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.6 p -69.77 -19.55 63.51 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.112 0.958 . . . . 0.0 110.137 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -93.83 -7.75 42.42 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.128 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -95.4 -83.47 0.36 Allowed 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.316 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.239 0 CA-C-N 119.316 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1510 ' ' SER . . . . . 0.438 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 8.8 m . . . . . 0 N--CA 1.439 -1.012 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.33 -3.31 18.45 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 123.105 1.431 . . . . 0.0 108.132 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.438 ' OE1' ' HB3' ' D' 1510 ' ' SER . 3.1 mp0 -103.46 -160.46 0.78 Allowed 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.826 -1.988 . . . . 0.0 106.764 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.17 -83.17 0.09 Allowed 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1514 ' ' ASP . . . . . 0.511 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 12.1 m-20 -96.78 14.96 23.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.458 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 72.21 167.55 0.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 126.629 1.971 . . . . 0.0 111.31 -175.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1516 ' ' CYS . . . . . 0.693 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.511 ' NE2' ' HB2' ' D' 1514 ' ' ASP . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1518 ' ' VAL . . . . . 0.508 HG23 ' N ' ' D' 1583 ' ' TYR . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1519 ' ' THR . . . . . 0.493 HG21 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.51 ' HB2' ' CA ' ' D' 1524 ' ' GLY 0.251 10.5 t-20 -122.99 146.16 47.83 Favored Pre-proline 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.49 ' CD ' ' H ' ' D' 1522 ' ' SER . 71.9 Cg_endo -88.55 -14.49 3.07 Favored 'Trans proline' 0 C--N 1.284 -2.823 0 C-N-CA 121.268 1.312 . . . . 0.0 109.152 -177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.49 ' H ' ' CD ' ' D' 1521 ' ' PRO . 13.7 m -113.33 -33.38 5.96 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.148 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 54.5 m -138.64 -14.18 1.25 Allowed 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 121.642 0.734 . . . . 0.0 111.207 -166.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1524 ' ' GLY . . . . . 0.51 ' CA ' ' HB2' ' D' 1520 ' ' ASN . . . -149.15 55.33 0.49 Allowed Glycine 3 N--CA 1.369 -5.826 0 C-N-CA 117.926 -2.083 . . . . 0.0 111.045 -168.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -27.56 170.44 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.22 0 C-N-CA 131.657 3.983 . . . . 0.0 115.689 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1526 ' ' LEU . . . . . 0.493 ' N ' HG21 ' D' 1519 ' ' THR . 2.8 tm? -55.52 113.53 1.47 Allowed 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 120.733 -1.229 . . . . 0.0 111.989 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.568 HD12 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.678 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.463 HD11 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.678 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.436 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.603 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 -85.43 103.11 14.02 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 56.43 -144.15 0.68 Allowed 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.702 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 2.8 24.86 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.2 pttp -121.79 -30.65 4.1 Favored 'General case' 0 CA--C 1.479 -1.755 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.586 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -110.33 158.35 14.49 Favored Glycine 0 C--N 1.263 -3.519 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.542 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1548 ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.436 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.653 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.693 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.52 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.463 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.507 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1560 ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' D' 1576 ' ' LYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1573 ' ' SER . . . . . 0.423 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1574 ' ' VAL . . . . . 0.407 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1578 ' ' ASN . . . . . 0.434 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.477 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.403 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1582 ' ' ARG . . . . . 0.497 ' HA ' HG23 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D 1583 ' ' TYR . . . . . 0.508 ' N ' HG23 ' D' 1518 ' ' VAL . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' D' 1582 ' ' ARG . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.576 ' HA ' ' O ' ' D' 1610 ' ' ILE . 28.4 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.567 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.653 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1593 ' ' LYS . . . . . 0.434 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -53.52 121.65 9.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 48.9 t -80.37 126.74 78.18 Favored Pre-proline 0 N--CA 1.41 -2.436 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.363 -170.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -58.66 -25.59 75.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 124.127 3.218 . . . . 0.0 113.431 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 35.1 t -53.9 -31.47 50.14 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.623 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.48 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -155.83 -149.18 0.25 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 -178.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.48 ' H ' ' HG3' ' D' 1601 ' ' LYS . 46.0 m -141.13 109.65 5.96 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 118.56 0.618 . . . . 0.0 109.958 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.14 21.2 11.13 Favored Glycine 0 CA--C 1.473 -2.54 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.608 HD23 ' SG ' ' D' 1634 ' ' CYS . 15.6 tp -121.68 164.16 17.83 Favored 'General case' 0 N--CA 1.389 -3.503 0 CA-C-N 111.951 -2.124 . . . . 0.0 107.208 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 3.5 m -152.04 168.12 26.25 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -173.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1606 ' ' TYR . . . . . 0.407 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.525 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.567 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.576 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.496 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.5 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.465 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 -127.43 122.54 22.84 Favored Pre-proline 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1616 ' ' PRO . . . . . 0.408 ' HD2' ' OE1' ' D' 1617 ' ' GLU . 16.9 Cg_exo -65.12 -20.9 63.28 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.331 1.354 . . . . 0.0 111.142 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.408 ' OE1' ' HD2' ' D' 1616 ' ' PRO . 1.1 pm0 -101.6 159.67 15.1 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.042 172.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -89.59 -170.91 3.0 Favored 'General case' 0 C--N 1.274 -2.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.538 -177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -94.82 173.15 31.79 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.84 -41.23 24.7 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 123.254 2.636 . . . . 0.0 108.118 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 93.4 m -112.87 -29.59 7.33 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.9 179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 76.68 60.99 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1623 ' ' ARG . . . . . 0.603 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1625 ' ' MET . . . . . 0.449 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1627 ' ' ILE . . . . . 0.42 HD13 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1630 ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' D' 1634 ' ' CYS . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.608 ' SG ' HD23 ' D' 1604 ' ' LEU . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.525 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1637 ' ' PHE . . . . . 0.42 ' HB3' HD13 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.496 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1641 ' ' HIS . . . . . 0.465 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.874 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.5 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.874 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -174.17 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -62.91 -66.42 0.54 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.165 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1649 ' ' ALA . . . . . 0.439 ' C ' ' H ' ' D' 1651 ' ' LYS . . . -92.3 -8.69 44.46 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.754 -175.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 3.4 m -65.25 -7.74 14.46 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.579 1.181 . . . . 0.0 111.706 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.439 ' H ' ' C ' ' D' 1649 ' ' ALA . 26.9 mmtp -86.98 -7.45 58.15 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.89 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -100.76 -84.16 0.43 Allowed 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 CA-C-N 119.122 0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 68.8 90.43 0.1 Allowed 'General case' 0 C--O 1.255 1.375 0 C-N-CA 123.928 0.891 . . . . 0.0 108.936 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1512 ' ' GLU . . . . . 0.508 ' OE1' ' HB2' ' D' 1580 ' ' ARG 0.303 1.8 pm0 45.43 -175.13 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 114.3 -1.318 . . . . 0.0 113.198 -171.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 22.2 t60 -168.1 -84.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.896 -1.128 . . . . 0.0 110.158 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.32 -15.68 57.55 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.123 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1515 ' ' ASP . . . . . 0.457 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 75.69 159.76 0.22 Allowed 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.39 -175.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1517 ' ' GLN . . . . . 0.575 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1520 ' ' ASN . . . . . 0.407 HD22 ' HB3' ' D' 1647 ' ' GLU 0.264 14.7 m120 -57.61 137.47 82.28 Favored Pre-proline 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1521 ' ' PRO . . . . . 0.549 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.8 Cg_endo -92.46 -9.82 2.31 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 N-CA-C 107.319 -1.839 . . . . 0.0 107.319 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1522 ' ' SER . . . . . 0.549 ' H ' ' CD ' ' D' 1521 ' ' PRO . 64.9 p -91.08 -20.1 22.42 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.841 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 5.3 m -136.16 -34.69 0.79 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.667 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 80.53 22.9 61.36 Favored Glycine 0 N--CA 1.415 -2.721 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.945 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 19.6 t-80 -104.79 141.96 35.57 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.86 -0.67 . . . . 0.0 109.98 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.85 136.06 36.03 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 176.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1527 ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1528 ' ' ASP . . . . . 0.446 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1529 ' ' LEU . . . . . 0.592 HD12 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1530 ' ' SER . . . . . 0.558 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1532 ' ' LEU . . . . . 0.462 HD11 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1533 ' ' SER . . . . . 0.558 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1535 ' ' ARG . . . . . 0.582 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1537 ' ' GLY . . . . . 0.443 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1539 ' ' THR . . . . . 0.548 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 -102.29 93.78 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 95.4 p 47.26 -125.99 1.64 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.943 -1.48 . . . . 0.0 113.488 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.89 -14.39 14.98 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.783 -175.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -96.95 -27.33 14.69 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.589 -163.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1546 ' ' GLY . . . . . 0.626 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -155.7 173.14 33.79 Favored Glycine 0 N--CA 1.405 -3.422 0 C-N-CA 118.522 -1.799 . . . . 0.0 114.481 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1551 ' ' SER . . . . . 0.443 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1553 ' ' CYS . . . . . 0.408 ' SG ' HG21 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1555 ' ' GLU . . . . . 0.455 ' HA ' ' HA3' ' D' 1564 ' ' GLY . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1556 ' ' ASN . . . . . 0.534 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1557 ' ' GLU . . . . . 0.582 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1559 ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1560 ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1561 ' ' PRO . . . . . 0.409 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1563 ' ' VAL . . . . . 0.547 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1564 ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1566 ' ' CYS . . . . . 0.579 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1567 ' ' PHE . . . . . 0.413 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1569 ' ' GLN . . . . . 0.626 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1572 ' ' ILE . . . . . 0.413 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1573 ' ' SER . . . . . 0.4 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1576 ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1579 ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1580 ' ' ARG . . . . . 0.508 ' HB2' ' OE1' ' D' 1512 ' ' GLU . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1581 ' ' LEU . . . . . 0.451 HD21 ' HG ' ' D' 1529 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1584 ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1586 ' ' GLN . . . . . 0.546 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1587 ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD12 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1590 ' ' LEU . . . . . 0.429 HD11 ' HH ' ' D' 1592 ' ' TYR . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1591 ' ' VAL . . . . . 0.437 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.96 119.12 5.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1598 ' ' CYS . . . . . 0.495 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 8.5 t -91.31 132.59 33.45 Favored Pre-proline 0 N--CA 1.416 -2.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.41 -170.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -56.0 -29.01 71.92 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 124.011 3.141 . . . . 0.0 113.813 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.2 m -52.75 -26.18 13.39 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.552 1.157 . . . . 0.0 114.057 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1601 ' ' LYS . . . . . 0.49 ' HG2' ' H ' ' D' 1602 ' ' SER . 31.3 ttpt -160.19 -152.54 0.29 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1602 ' ' SER . . . . . 0.49 ' H ' ' HG2' ' D' 1601 ' ' LYS . 43.8 m -142.39 109.9 5.71 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.05 22.0 9.12 Favored Glycine 0 CA--C 1.474 -2.483 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1604 ' ' LEU . . . . . 0.688 HD22 ' SG ' ' D' 1634 ' ' CYS . 25.5 tp -121.47 156.43 32.79 Favored 'General case' 1 N--CA 1.379 -4.019 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.295 -175.62 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m -158.32 167.1 30.66 Favored 'General case' 0 C--N 1.251 -3.685 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1607 ' ' LYS . . . . . 0.502 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1608 ' ' SER . . . . . 0.469 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1611 ' ' SER . . . . . 0.408 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1612 ' ' PHE . . . . . 0.592 ' CZ ' HD12 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1614 ' ' CYS . . . . . 0.552 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1615 ' ' ARG . . . . . 0.521 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 3.7 mmp_? -131.93 129.5 21.89 Favored Pre-proline 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' D' 1617 ' ' GLU . 28.2 Cg_exo -62.25 -15.87 47.36 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.336 1.357 . . . . 0.0 110.714 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1617 ' ' GLU . . . . . 0.401 ' OE2' ' HD2' ' D' 1616 ' ' PRO . 1.2 mp0 -84.65 137.19 33.41 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.21 151.15 19.76 Favored 'General case' 0 C--N 1.27 -2.858 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1619 ' ' GLY . . . . . 0.41 ' HA3' ' HD3' ' D' 1620 ' ' PRO . . . -66.77 159.32 48.99 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.07 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1620 ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' D' 1619 ' ' GLY . 45.5 Cg_exo -60.93 -37.79 74.4 Favored 'Trans proline' 0 CA--C 1.493 -1.558 0 C-N-CA 124.28 3.32 . . . . 0.0 109.477 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1621 ' ' THR . . . . . 0.422 ' O ' ' HB2' ' D' 1622 ' ' ASN . 32.6 m -113.15 -32.26 6.37 Favored 'General case' 0 C--N 1.278 -2.543 0 CA-C-N 112.822 -1.99 . . . . 0.0 111.19 -179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1622 ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' D' 1621 ' ' THR . 68.3 m-20 77.96 60.08 0.03 OUTLIER 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 -175.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1623 ' ' ARG . . . . . 0.548 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1634 ' ' CYS . . . . . 0.688 ' SG ' HD22 ' D' 1604 ' ' LEU . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1635 ' ' THR . . . . . 0.502 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1639 ' ' SER . . . . . 0.408 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1640 ' ' TRP . . . . . 0.468 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1642 ' ' THR . . . . . 0.468 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1643 ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1645 ' ' ALA . . . . . 0.552 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1646 ' ' CYS . . . . . 0.421 ' O ' ' HB2' ' D' 1647 ' ' GLU . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D 1647 ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' D' 1651 ' ' LYS . 0.4 OUTLIER 177.18 -43.8 0.01 OUTLIER 'General case' 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' D' D 1648 ' ' GLN . . . . . 0.526 ' OE1' ' HG2' ' D' 1586 ' ' GLN . 48.2 tt0 -58.46 -56.57 20.39 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 113.366 -1.743 . . . . 0.0 112.011 -175.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.8 66.26 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.906 0.86 . . . . 0.0 110.142 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 91.7 m -74.76 -7.97 54.97 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.222 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1651 ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' D' 1647 ' ' GLU . 21.8 mtpp -77.62 -7.75 56.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.672 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.35 100.15 10.02 Favored 'General case' 0 N--CA 1.41 -2.429 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.238 -4.273 0 CA-C-N 118.603 0.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' D' 1515 ' ' ASP . 11.1 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.695 HG21 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.537 HG23 HD23 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.537 HD23 HG23 ' D' 1519 ' ' THR . 3.3 tm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.485 ' HB3' HD12 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.485 HD12 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.508 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -3.312 0 CA-C-O 121.994 0.775 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.53 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.502 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.472 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.478 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1565 ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' D' 1592 ' ' TYR . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1570 ' ' THR . . . . . 0.408 ' HB ' HD13 ' D' 1572 ' ' ILE . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.408 HD13 ' HB ' ' D' 1570 ' ' THR . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.681 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' D' 1580 ' ' ARG . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.695 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.581 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.58 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.46 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.514 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.433 -1.313 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' D' 1634 ' ' CYS . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.58 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.405 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.585 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? . . . . . 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.519 HD11 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.444 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1634 ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' D' 1606 ' ' TYR . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.444 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.424 ' HB3' HD12 ' D' 1627 ' ' ILE . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.409 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1641 ' ' HIS . . . . . 0.473 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D 1647 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 . . . . . 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 120.986 0.422 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.494 ' HB3' HD21 ' D' 1526 ' ' LEU . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' D' 1581 ' ' LEU . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.438 -1.075 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.563 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.412 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.563 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.393 -4.187 0 CA-C-O 122.614 1.119 . . . . 0.0 114.322 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.458 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.581 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.551 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.41 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' D' 1582 ' ' ARG . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.609 HD11 ' HB3' ' D' 1588 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.624 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.624 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.609 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1609 ' ' VAL . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.581 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.617 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.547 ' HB2' ' H ' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.476 -1.901 0 CA-C-O 122.451 1.12 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1629 ' ' LEU . . . . . 0.469 ' H ' HD23 ' D' 1629 ' ' LEU . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.617 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.615 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.446 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.546 HG21 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.558 HG23 HD23 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.6 m-80 . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.558 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.444 -0.728 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.4 ' HB3' HD12 ' D' 1532 ' ' LEU . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.542 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.4 HD12 ' HB3' ' D' 1529 ' ' LEU . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1546 ' ' GLY . . . . . 0.491 ' HA2' ' OE1' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.408 -3.224 0 CA-C-O 121.964 0.758 . . . . 0.0 114.256 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1550 ' ' MET . . . . . 0.46 ' HE2' ' HG3' ' D' 1624 ' ' PRO . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.426 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.587 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.539 ' SG ' HG22 ' D' 1552 ' ' ILE 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.634 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.448 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1569 ' ' GLN . . . . . 0.491 ' OE1' ' HA2' ' D' 1546 ' ' GLY . 0.9 OUTLIER -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.483 ' HA ' ' H ' ' D' 1564 ' ' GLY . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.748 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.446 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.546 ' N ' HG21 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 14.3 mm100 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.418 -2.027 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.629 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.541 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.46 ' HG3' ' HE2' ' D' 1550 ' ' MET . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1625 ' ' MET . . . . . 0.435 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.474 HD12 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1632 ' ' GLN . . . . . 0.463 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1633 ' ' THR . . . . . 0.448 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1634 ' ' CYS . . . . . 0.629 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.474 ' HB3' HD12 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.532 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D 1647 ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' D' 1646 ' ' CYS . 7.0 tp10 . . . . . 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 . . . . . 0 C--O 1.238 0.486 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.628 HG21 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 18.7 m120 . . . . . 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.473 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.552 ' HG ' HD22 ' D' 1581 ' ' LEU . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.765 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.765 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.778 0 N-CA-C 114.957 0.743 . . . . 0.0 114.957 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.594 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.602 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.501 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.469 ' CZ ' HG11 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.58 HD11 ' HB3' ' D' 1588 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.433 ' C ' HG21 ' D' 1518 ' ' VAL . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.628 ' N ' HG21 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.58 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.594 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 CA--C 1.498 -1.055 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.591 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.456 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.506 HD11 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1629 ' ' LEU . . . . . 0.441 HD13 ' HG ' ' D' 1636 ' ' LEU . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.591 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1636 ' ' LEU . . . . . 0.441 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.472 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.776 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.776 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.421 HG23 HD23 ' D' 1526 ' ' LEU . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.464 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.9 m-80 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.421 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.665 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.665 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.405 -3.402 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.545 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.601 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1554 ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' D' 1559 ' ' CYS . 2.5 t-20 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.442 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1570 ' ' THR . . . . . 0.416 ' HB ' HD13 ' D' 1572 ' ' ILE . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.478 HG23 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.456 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.564 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.608 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.486 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1596 ' ' SER . . . . . 0.478 ' HB2' HG23 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.423 -1.825 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.602 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.455 HG22 HG22 ' D' 1591 ' ' VAL . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.647 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.534 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' D' 1615 ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 CA--C 1.492 -1.251 0 CA-C-O 122.186 0.993 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.602 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.534 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.689 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1644 ' ' LEU . . . . . 0.423 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.495 HG23 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.503 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 0.2 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.529 HD22 ' HB3' ' D' 1517 ' ' GLN . 24.2 mt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.657 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.463 ' HB3' HD12 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.602 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.428 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.408 0 CA-C-O 121.874 0.708 . . . . 0.0 114.637 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.61 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.47 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.522 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.47 ' HA ' ' H ' ' D' 1564 ' ' GLY . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.419 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.498 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.7 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.61 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' D' 1576 ' ' LYS . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo . . . . . 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.423 -1.781 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.572 ' HB2' ' H ' ' D' 1592 ' ' TYR . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' D' 1638 ' ' PHE . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.649 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' D' 1615 ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1622 ' ' ASN . . . . . 0.503 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 . . . . . 0 N--CA 1.408 -2.563 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.488 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.435 HD12 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.435 ' HB3' HD12 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.503 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.654 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' D' 1527 ' ' PHE . 81.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.409 HG21 ' HA ' ' D' 1582 ' ' ARG . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.501 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.423 -1.802 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.628 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.628 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.523 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D 1546 ' ' GLY . . . . . 0.454 ' HA2' ' OE1' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.416 -2.653 0 CA-C-O 121.762 0.646 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1549 ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.459 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.59 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.563 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.585 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1565 ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1569 ' ' GLN . . . . . 0.454 ' OE1' ' HA2' ' D' 1546 ' ' GLY . 0.5 OUTLIER -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.493 ' HB ' HD13 ' D' 1636 ' ' LEU . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.495 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.409 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.531 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.51 ' HB2' HD13 ' D' 1610 ' ' ILE . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo . . . . . 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.428 -1.548 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.561 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.588 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1613 ' ' VAL . . . . . 0.406 HG12 ' HG2' ' D' 1615 ' ' ARG . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.889 1.328 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D 1623 ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.487 HD11 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.431 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1636 ' ' LEU . . . . . 0.493 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.588 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1641 ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.587 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.564 HG21 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.538 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.568 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1528 ' ' ASP . . . . . 0.521 ' O ' HD11 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.465 HD11 HD13 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.571 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.571 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1534 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.475 ' HG2' ' HB2' ' D' 1557 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.425 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 . . . . . 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.405 -3.424 0 CA-C-O 122.45 1.028 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.519 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.687 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.564 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.475 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1575 ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 19.0 m120 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.587 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.56 HD13 HD23 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.564 ' HA ' HG21 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.424 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.56 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1609 ' ' VAL . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.687 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.48 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1591 ' ' VAL . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.53 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' D' 1529 ' ' LEU . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 26.7 tpt180 . . . . . 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 CA--C 1.485 -1.534 0 CA-C-O 122.082 0.944 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.554 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' 1642 ' ' THR . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1644 ' ' LEU . . . . . 0.521 HD11 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.507 -0.711 0 CA-C-O 120.627 0.251 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.4 m-80 . . . . . 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.566 ' HG ' HD22 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.618 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.618 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.563 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 . . . . . 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.423 -2.185 0 CA-C-O 121.243 0.357 . . . . 0.0 113.707 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.697 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.553 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.497 ' HB2' ' N ' ' D' 1551 ' ' SER . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.563 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.411 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' D' 1571 ' ' ARG . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1575 ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.578 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.459 ' HA ' HG21 ' D' 1518 ' ' VAL . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.617 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1609 ' ' VAL . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.621 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.518 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.621 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1591 ' ' VAL . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' 1639 ' ' SER . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.6 m-80 . . . . . 0 CA--C 1.485 -1.536 0 CA-C-O 122.701 1.238 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.447 ' HA ' ' O ' ' D' 1611 ' ' SER . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.489 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.605 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D 1647 ' ' GLU . . . . . 0.522 ' OE1' ' HA ' ' D' 1647 ' ' GLU . 3.5 tp10 . . . . . 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.494 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 . . . . . 0 CA--C 1.497 -1.076 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.406 HG21 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.409 HD21 ' HB3' ' D' 1517 ' ' GLN . 7.3 tt . . . . . 0 N--CA 1.435 -1.185 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1528 ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.519 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.424 HD12 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.409 -3.121 0 CA-C-O 122.609 1.116 . . . . 0.0 115.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1549 ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.564 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.517 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.612 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1568 ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.43 ' HB ' HD13 ' D' 1636 ' ' LEU . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.48 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.494 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.597 HD11 ' HB3' ' D' 1588 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.406 ' N ' HG21 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.499 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.597 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.439 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.439 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1595 ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo . . . . . 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D 1605 ' ' SER . . . . . 0.455 ' HB3' ' O ' ' D' 1595 ' ' GLY . 20.8 m . . . . . 0 N--CA 1.432 -1.349 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.701 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.487 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.518 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 . . . . . 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.494 -1.187 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.494 HD12 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1629 ' ' LEU . . . . . 0.429 HD13 ' HG ' ' D' 1636 ' ' LEU . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.3 tp60 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1633 ' ' THR . . . . . 0.439 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1634 ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1636 ' ' LEU . . . . . 0.43 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.494 ' HB3' HD12 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.518 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.577 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D 1647 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 . . . . . 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.531 0.205 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.514 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.483 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 14.6 m120 . . . . . 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.405 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.518 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.548 ' HB3' HD12 ' D' 1552 ' ' ILE . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.572 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.243 0 CA-C-O 121.584 0.547 . . . . 0.0 113.407 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.535 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.651 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.54 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.517 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.572 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.613 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.54 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.41 HD11 ' HB3' ' D' 1588 ' ' LEU . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.514 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.483 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.561 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.425 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' 1590 ' ' LEU . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1609 ' ' VAL . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.651 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.435 -1.211 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' H ' ' D' 1592 ' ' TYR . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1591 ' ' VAL . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.547 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.562 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D 1622 ' ' ASN . . . . . 0.502 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 52.8 t30 . . . . . 0 N--CA 1.424 -1.754 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.508 HD11 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.432 ' HB3' HD12 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.508 ' HB3' HD11 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.502 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.459 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.718 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.494 HG22 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' D' 1583 ' ' TYR . 40.7 t-20 . . . . . 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.494 ' N ' HG22 ' D' 1519 ' ' THR . 3.0 tm? . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.21 1.005 . . . . 0.0 111.755 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.42 ' HB3' HD12 ' D' 1532 ' ' LEU . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.42 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.597 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.83 0 CA-C-O 121.491 0.495 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.597 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.53 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.495 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.54 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1570 ' ' THR . . . . . 0.409 HG22 HD13 ' D' 1572 ' ' ILE . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.409 HD13 HG22 ' D' 1570 ' ' THR . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1575 ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' D' 1594 ' ' ASP . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.647 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' D' 1520 ' ' ASN . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.659 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.722 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.595 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.513 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.436 -1.141 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.595 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.505 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.602 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.616 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 . . . . . 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 122.634 1.207 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.475 HD12 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.572 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.572 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.475 ' HB3' HD12 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.562 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1644 ' ' LEU . . . . . 0.411 HD12 HD23 ' D' 1529 ' ' LEU . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.552 ' HB3' HD21 ' D' 1526 ' ' LEU . 78.5 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.524 HG21 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.552 HD21 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.732 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.732 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.562 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.589 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.412 -2.952 0 CA-C-O 121.329 0.405 . . . . 0.0 112.742 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1547 ' ' LEU . . . . . 0.432 HD12 ' HA3' ' D' 1568 ' ' GLY . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1550 ' ' MET . . . . . 0.457 ' O ' ' HA3' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.589 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.562 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1561 ' ' PRO . . . . . 0.5 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1568 ' ' GLY . . . . . 0.432 ' HA3' HD12 ' D' 1547 ' ' LEU . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' 1571 ' ' ARG . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1575 ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' D' 1594 ' ' ASP . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' D' 1553 ' ' CYS . 19.5 m120 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.669 HD13 HD23 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.524 ' N ' HG21 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.513 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.669 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.543 HG12 ' HG3' ' D' 1593 ' ' LYS . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.543 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.593 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.539 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 53.0 m-80 . . . . . 0 CA--C 1.494 -1.173 0 CA-C-O 122.419 1.104 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.512 HD11 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.63 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.708 ' HB3' HD21 ' D' 1526 ' ' LEU . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.547 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 25.3 m-80 . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.708 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.432 -1.343 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD12 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.685 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.685 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.454 0 CA-C-O 122.226 0.904 . . . . 0.0 115.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.684 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.484 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.59 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.546 ' H ' ' HD3' ' D' 1579 ' ' LYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.547 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.733 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 16.7 mm100 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' D' 1610 ' ' ILE . 7.4 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1609 ' ' VAL . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.684 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.47 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.768 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.473 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.576 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 . . . . . 0 CA--C 1.489 -1.376 0 CA-C-O 122.577 1.18 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1626 ' ' LEU . . . . . 0.415 HD12 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.473 HD12 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1634 ' ' CYS . . . . . 0.768 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.473 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.473 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.576 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.474 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1517 ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.57 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.42 ' O ' ' HD2' ' D' 1624 ' ' PRO . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.734 0 CA-C-O 122.14 0.856 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.672 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' D' 1559 ' ' CYS . 1.6 t-20 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' D' 1556 ' ' ASN . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.661 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.693 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.627 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.535 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.627 ' HB3' HD11 ' D' 1581 ' ' LEU . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.487 HG13 ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.672 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.401 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 CA--C 1.498 -1.03 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.535 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.474 HG22 HG22 ' D' 1591 ' ' VAL . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.537 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.428 1.109 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' D' 1539 ' ' THR . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.413 ' HB3' ' H ' ' D' 1635 ' ' THR . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.401 ' O ' HD12 ' D' 1626 ' ' LEU . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.537 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1641 ' ' HIS . . . . . 0.501 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 98.2 m-70 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.525 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.583 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.542 ' HB3' HD21 ' D' 1526 ' ' LEU . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.519 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.432 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.466 ' HB3' HD12 ' D' 1532 ' ' LEU . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.648 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.466 HD12 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.559 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.414 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.415 -2.71 0 CA-C-O 121.744 0.636 . . . . 0.0 114.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1549 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' D' 1565 ' ' ALA . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.414 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.665 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.559 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.435 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1565 ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.689 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.496 ' HA ' ' H ' ' D' 1564 ' ' GLY . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.475 HD11 ' HB3' ' D' 1588 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.476 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.704 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.532 HG11 ' HB3' ' D' 1611 ' ' SER . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.475 ' HB3' HD11 ' D' 1581 ' ' LEU . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.663 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.552 ' HB2' HD13 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.608 HG12 ' HG3' ' D' 1593 ' ' LYS . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.608 ' HG3' HG12 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' D' 1576 ' ' LYS . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.472 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.57 HG22 HG22 ' D' 1591 ' ' VAL . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.572 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' D' 1587 ' ' VAL . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 19.2 tpt180 . . . . . 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 . . . . . 0 CA--C 1.479 -1.75 0 CA-C-O 122.431 1.11 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.4 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' D' 1635 ' ' THR . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.472 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.4 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.572 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.482 ' CZ3' HD11 ' D' 1552 ' ' ILE . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.708 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.708 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.792 0.329 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.477 ' HB3' HD21 ' D' 1526 ' ' LEU . 33.2 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.578 HG21 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.517 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.0 m-80 . . . . . 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.517 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.477 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.549 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1546 ' ' GLY . . . . . 0.442 ' HA3' ' OE1' ' D' 1569 ' ' GLN . . . . . . . . 0 CA--C 1.467 -2.925 0 CA-C-O 121.924 0.736 . . . . 0.0 114.128 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.549 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.543 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1569 ' ' GLN . . . . . 0.442 ' OE1' ' HA3' ' D' 1546 ' ' GLY . 49.6 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1570 ' ' THR . . . . . 0.45 ' HB ' HD13 ' D' 1572 ' ' ILE . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.45 HD13 ' HB ' ' D' 1570 ' ' THR . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.534 HD11 ' HB3' ' D' 1588 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.578 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.587 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.412 HG13 ' NE2' ' D' 1589 ' ' GLN . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.566 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 . . . . . 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 122.273 1.035 . . . . 0.0 108.363 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.43 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.587 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.531 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.554 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.802 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.802 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 . . . . . 0 CA--C 1.494 -1.207 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.422 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.577 ' HB3' HD22 ' D' 1526 ' ' LEU . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.587 HG21 ' HA ' ' D' 1582 ' ' ARG . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.577 HD22 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.564 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1538 ' ' PHE . . . . . 0.405 ' N ' ' O ' ' D' 1550 ' ' MET . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1542 ' ' TYR . . . . . 0.6 ' OH ' HD22 ' D' 1629 ' ' LEU . 14.4 t80 . . . . . 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.118 0 CA-C-O 121.888 0.716 . . . . 0.0 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1547 ' ' LEU . . . . . 0.44 ' HA ' ' H ' ' D' 1542 ' ' TYR . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1550 ' ' MET . . . . . 0.405 ' O ' ' N ' ' D' 1538 ' ' PHE . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.51 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' D' 1533 ' ' SER . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.596 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1571 ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1575 ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1577 ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.452 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.45 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.587 ' HA ' HG21 ' D' 1518 ' ' VAL 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.533 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.437 ' HB2' HD12 ' D' 1610 ' ' ILE . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.472 HG13 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.565 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.565 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.42 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.524 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 . . . . . 0 CA--C 1.472 -2.031 0 CA-C-O 123.086 1.422 . . . . 0.0 108.417 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1629 ' ' LEU . . . . . 0.6 HD22 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' D' 1624 ' ' PRO . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.524 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1516 ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' D' 1527 ' ' PHE . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1518 ' ' VAL . . . . . 0.622 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1519 ' ' THR . . . . . 0.508 HG22 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' D' D 1520 ' ' ASN . . . . . 0.697 ' HB2' ' HE2' ' D' 1583 ' ' TYR 0.251 10.5 t-20 . . . . . 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 3 2 . 1 . 019 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.508 ' N ' HG22 ' D' 1519 ' ' THR . 2.8 tm? . . . . . 0 CA--C 1.508 -0.661 0 CA-C-O 121.903 0.859 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.467 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.602 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.271 0 CA-C-O 121.511 0.506 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.637 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.455 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.593 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.593 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.429 HG23 ' HB3' ' D' 1596 ' ' SER . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.433 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1578 ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1580 ' ' ARG . . . . . 0.424 HH11 ' HD3' ' D' 1580 ' ' ARG . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.541 HD11 ' HB3' ' D' 1588 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1582 ' ' ARG . . . . . 0.622 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D 1583 ' ' TYR . . . . . 0.697 ' HE2' ' HB2' ' D' 1520 ' ' ASN . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.541 ' HB3' HD11 ' D' 1581 ' ' LEU . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.3 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.637 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1593 ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1596 ' ' SER . . . . . 0.429 ' HB3' HG23 ' D' 1572 ' ' ILE . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo . . . . . 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.541 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.577 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.489 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.54 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 . . . . . 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D 1623 ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1624 ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1625 ' ' MET . . . . . 0.463 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.44 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1629 ' ' LEU . . . . . 0.421 HD13 ' HG ' ' D' 1636 ' ' LEU . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.541 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1636 ' ' LEU . . . . . 0.421 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1637 ' ' PHE . . . . . 0.44 ' HB3' HD12 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.478 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.54 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1641 ' ' HIS . . . . . 0.54 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.919 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1646 ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D 1515 ' ' ASP . . . . . 0.478 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1520 ' ' ASN . . . . . . . . . . . . 0.264 15.1 m-80 . . . . . 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1526 ' ' LEU . . . . . 0.437 HD22 ' HB3' ' D' 1517 ' ' GLN . 47.3 mt . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1528 ' ' ASP . . . . . 0.523 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1530 ' ' SER . . . . . 0.574 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1532 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1533 ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1535 ' ' ARG . . . . . 0.595 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1537 ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1539 ' ' THR . . . . . 0.553 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.405 -3.422 0 CA-C-O 122.631 1.129 . . . . 0.0 114.481 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1548 ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' D' 1539 ' ' THR . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1551 ' ' SER . . . . . 0.425 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1553 ' ' CYS . . . . . 0.414 ' SG ' HG22 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1555 ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1556 ' ' ASN . . . . . 0.508 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1557 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1558 ' ' ASN . . . . . 0.451 HD22 ' HB3' ' D' 1566 ' ' CYS . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1560 ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1561 ' ' PRO . . . . . 0.431 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1564 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1567 ' ' PHE . . . . . 0.428 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1572 ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1573 ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1574 ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1576 ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1579 ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1581 ' ' LEU . . . . . 0.64 HD11 ' HB3' ' D' 1588 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1584 ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1586 ' ' GLN . . . . . 0.56 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1587 ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1588 ' ' LEU . . . . . 0.64 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1589 ' ' GLN . . . . . 0.677 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1590 ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D 1606 ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1607 ' ' LYS . . . . . 0.516 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D 1608 ' ' SER . . . . . 0.541 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1609 ' ' VAL . . . . . 0.559 HG13 HE21 ' D' 1589 ' ' GLN . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1610 ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1611 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1614 ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1615 ' ' ARG . . . . . 0.553 ' NE ' ' HA ' ' D' 1615 ' ' ARG . 3.7 mmp_? . . . . . 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D 1623 ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1627 ' ' ILE . . . . . 0.419 HD11 ' OG ' ' D' 1639 ' ' SER . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1630 ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' D' 1635 ' ' THR . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1635 ' ' THR . . . . . 0.516 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1638 ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1639 ' ' SER . . . . . 0.453 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1645 ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 72.45 107.09 0.07 Allowed 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 124.72 1.208 . . . . 0.0 111.893 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' 1580 ' ' ARG . 45.7 mt-10 76.39 -174.26 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.099 1.359 . . . . 0.0 112.452 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -142.32 -76.6 0.27 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.836 0.826 . . . . 0.0 110.179 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.66 7.93 45.53 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 75.5 164.32 0.26 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 127.369 2.268 . . . . 0.0 110.191 -174.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' D' 1515 ' ' ASP . 20.7 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.695 HG21 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.537 HG23 HD23 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.511 ' HB2' ' H ' ' D' 1525 ' ' HIS . 14.0 m120 -58.08 124.08 68.16 Favored Pre-proline 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.418 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.4 Cg_endo -86.27 -10.87 6.5 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 N-CA-C 107.756 -1.671 . . . . 0.0 107.756 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.418 ' H ' ' CD ' ' D' 1521 ' ' PRO . 2.2 m -102.28 -12.5 17.92 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 111.816 -2.447 . . . . 0.0 111.403 -175.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 3.7 m -128.96 -30.65 2.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.913 0.863 . . . . 0.0 109.496 -175.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.64 24.64 60.11 Favored Glycine 0 N--CA 1.418 -2.532 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.825 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.511 ' H ' ' HB2' ' D' 1520 ' ' ASN . 41.9 t-80 -101.45 129.22 47.45 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.092 -1.054 . . . . 0.0 109.313 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.537 HD23 HG23 ' D' 1519 ' ' THR . 3.3 tm? -90.44 141.98 28.2 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -176.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.485 ' HB3' HD12 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.485 HD12 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.508 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 -91.45 98.91 11.97 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 31.7 m 53.75 -141.43 0.86 Allowed 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.791 -174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -3.28 20.19 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.698 0.761 . . . . 0.0 111.568 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 55.0 pttt -112.91 -22.87 10.41 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.212 1.006 . . . . 0.0 110.645 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -124.48 162.29 18.7 Favored Glycine 0 N--CA 1.406 -3.312 0 CA-C-N 114.342 -1.299 . . . . 0.0 113.878 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.53 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.502 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.472 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.478 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1565 ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' D' 1592 ' ' TYR . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1570 ' ' THR . . . . . 0.408 ' HB ' HD13 ' D' 1572 ' ' ILE . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.408 HD13 ' HB ' ' D' 1570 ' ' THR . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.681 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' D' 1512 ' ' GLU . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.695 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.581 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.58 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.46 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.514 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.27 133.5 19.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' D' 1604 ' ' LEU . 9.9 p -59.65 116.83 18.29 Favored Pre-proline 0 C--N 1.307 -1.271 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.141 -177.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.47 -28.65 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.87 1.713 . . . . 0.0 110.958 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.0 p -92.77 -4.57 52.85 Favored 'General case' 0 C--N 1.278 -2.527 0 CA-C-N 113.511 -1.677 . . . . 0.0 114.336 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.57 ' HG2' ' H ' ' D' 1602 ' ' SER . 74.0 tttt -149.39 -158.51 0.92 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.57 ' H ' ' HG2' ' D' 1601 ' ' LYS . 79.4 p -143.94 110.83 5.68 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 118.577 0.626 . . . . 0.0 111.253 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.57 16.12 27.64 Favored Glycine 0 CA--C 1.468 -2.879 0 CA-C-O 123.087 1.382 . . . . 0.0 110.418 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.462 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 12.3 tp -120.7 178.22 4.78 Favored 'General case' 0 C--N 1.248 -3.846 0 CA-C-N 112.012 -2.094 . . . . 0.0 107.19 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.459 ' N ' ' HG ' ' D' 1604 ' ' LEU . 51.7 m -156.29 173.99 16.05 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' D' 1634 ' ' CYS . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.58 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.405 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.585 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? -137.94 118.76 10.37 Favored Pre-proline 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.36 -12.07 34.11 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 121.781 1.654 . . . . 0.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.25 137.37 37.09 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.49 174.8 6.48 Favored 'General case' 0 C--N 1.254 -3.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.33 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -88.24 166.38 34.98 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.23 -42.11 19.13 Favored 'Trans proline' 0 CA--C 1.495 -1.432 0 C-N-CA 123.359 2.706 . . . . 0.0 107.567 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 93.9 m -103.13 -33.96 9.03 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.193 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 76.43 69.44 0.07 Allowed 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.755 1.622 . . . . 0.0 107.459 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.519 HD11 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.444 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' D' 1606 ' ' TYR . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.444 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.424 ' HB3' HD12 ' D' 1627 ' ' ILE . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.409 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1641 ' ' HIS . . . . . 0.473 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 166.52 -37.68 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -83.31 -54.09 5.26 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.843 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.85 -11.8 56.89 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.609 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 17.7 m -63.58 -20.5 65.7 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.227 1.013 . . . . 0.0 108.904 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.416 ' HG2' ' OE2' ' D' 1652 ' ' GLU . 60.1 tttm -89.73 -48.61 7.15 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.738 -176.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1652 ' ' GLU . . . . . 0.416 ' OE2' ' HG2' ' D' 1651 ' ' LYS . 44.2 mm-40 -110.07 88.56 2.79 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.994 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.52 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -111.08 -3.77 15.34 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' D' 1517 ' ' GLN . 2.2 mp0 -88.82 -170.94 3.11 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.265 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.541 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 41.7 t-80 -131.97 -78.27 0.51 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.526 0.679 . . . . 0.0 109.548 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.16 15.08 28.61 Favored 'General case' 0 C--N 1.282 -2.329 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' D' 1512 ' ' GLU . 77.6 m-20 73.44 162.3 0.26 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.689 2.396 . . . . 0.0 111.216 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.541 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' D' 1581 ' ' LEU . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.573 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 14.6 m120 -57.76 140.21 81.33 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -92.75 -4.97 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 N-CA-C 107.452 -1.788 . . . . 0.0 107.452 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 12.0 m -113.2 -9.44 13.47 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.479 -2.146 . . . . 0.0 112.096 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.5 m -130.17 -38.39 1.41 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1524 ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' D' 1520 ' ' ASN . . . 79.51 30.7 43.81 Favored Glycine 0 N--CA 1.398 -3.843 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.573 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 43.9 t-80 -100.13 120.6 40.11 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.1 -1.05 . . . . 0.0 108.168 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -82.78 134.55 35.12 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.472 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.563 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.412 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.563 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 -121.08 94.58 4.39 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 50.9 m 51.51 -149.42 0.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.708 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 4.62 28.51 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 122.951 1.358 . . . . 0.0 107.37 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1545 ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' D' 1545 ' ' LYS . 0.0 OUTLIER -77.09 -31.01 55.66 Favored 'General case' 0 CA--C 1.469 -2.153 0 CA-C-N 112.836 -1.984 . . . . 0.0 106.142 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.64 19.36 Favored Glycine 1 N--CA 1.393 -4.187 0 CA-C-N 113.46 -1.7 . . . . 0.0 114.322 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.458 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.581 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.551 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.41 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.461 ' HA ' ' OE2' ' D' 1512 ' ' GLU . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.609 HD11 ' HB3' ' D' 1588 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.624 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.624 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.609 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1609 ' ' VAL . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.581 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.89 128.12 23.54 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' D' 1599 ' ' PRO . 47.0 t -85.82 140.82 35.46 Favored Pre-proline 0 C--N 1.285 -2.231 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 77.3 Cg_exo -62.13 -28.61 79.98 Favored 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 123.69 2.927 . . . . 0.0 113.099 172.611 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 18.0 m -73.19 -39.25 65.73 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.838 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.545 ' HB3' HD23 ' D' 1604 ' ' LEU . 36.4 ttpt -158.69 142.09 14.96 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 21.9 m -126.87 116.21 20.5 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 122.489 1.138 . . . . 0.0 108.386 -162.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 126.13 -17.23 6.7 Favored Glycine 0 C--N 1.262 -3.57 0 N-CA-C 104.621 -3.392 . . . . 0.0 104.621 -170.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.545 HD23 ' HB3' ' D' 1601 ' ' LYS . 51.1 tp -96.96 172.43 7.86 Favored 'General case' 0 N--CA 1.384 -3.735 0 CA-C-N 108.811 -3.695 . . . . 0.0 105.905 171.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m -160.06 165.76 31.23 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -175.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.617 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.547 ' HB2' ' H ' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.533 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 68.0 ttt180 -145.34 119.08 5.46 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1616 ' ' PRO . . . . . 0.405 ' HD3' ' CG2' ' D' 1650 ' ' THR . 81.2 Cg_endo -80.33 -8.9 13.92 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.798 2.332 . . . . 0.0 110.686 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 32.2 mt-10 -82.44 5.79 19.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.891 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -54.67 177.25 0.03 OUTLIER 'General case' 0 C--N 1.252 -3.638 0 CA-C-N 112.689 -2.051 . . . . 0.0 111.723 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -106.31 -169.25 22.96 Favored Glycine 0 N--CA 1.42 -2.376 0 C-N-CA 119.306 -1.426 . . . . 0.0 113.306 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -87.51 -18.34 2.59 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 123.267 2.645 . . . . 0.0 110.686 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1621 ' ' THR . . . . . 0.534 HG22 ' HG3' ' D' 1623 ' ' ARG . 4.0 m -79.32 -63.16 1.48 Allowed 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.376 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.28 77.24 0.34 Allowed 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 125.014 1.325 . . . . 0.0 111.736 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.534 ' HG3' HG22 ' D' 1621 ' ' THR . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1629 ' ' LEU . . . . . 0.469 ' H ' HD23 ' D' 1629 ' ' LEU . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.617 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.615 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -176.39 -44.81 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.02 -67.0 0.87 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.04 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1650 ' ' THR . . . . . 0.405 ' CG2' ' HD3' ' D' 1616 ' ' PRO . 3.3 p -74.71 -7.99 55.0 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 122.031 0.919 . . . . 0.0 111.44 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -96.13 -14.66 22.65 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.142 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -109.96 -87.71 0.51 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.27 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.259 -3.356 0 CA-C-N 119.426 1.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.07 79.54 1.42 Allowed 'General case' 0 C--O 1.187 -2.195 0 C-N-CA 119.236 -0.985 . . . . 0.0 109.444 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.09 -176.64 3.93 Favored 'General case' 0 C--N 1.256 -3.491 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.871 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -140.97 -87.88 0.17 Allowed 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 116.554 -2.058 . . . . 0.0 112.792 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1514 ' ' ASP . . . . . 0.478 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 4.4 m-20 -96.14 9.41 41.02 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.446 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 70.86 162.13 0.24 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.589 1.956 . . . . 0.0 109.151 -169.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.546 HG21 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.558 HG23 HD23 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.2 m120 -67.43 132.7 93.04 Favored Pre-proline 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.439 ' CD ' ' H ' ' D' 1522 ' ' SER . 25.4 Cg_endo -92.72 -9.35 2.28 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 N-CA-C 107.561 -1.746 . . . . 0.0 107.561 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.439 ' H ' ' CD ' ' D' 1521 ' ' PRO . 34.9 t -106.38 -2.18 22.46 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 112.126 -2.307 . . . . 0.0 110.402 -175.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 27.9 m -138.59 -33.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.426 0.631 . . . . 0.0 109.841 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 82.09 20.49 62.82 Favored Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.976 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' D' 1520 ' ' ASN . 70.5 t60 -99.54 133.42 43.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.461 -0.869 . . . . 0.0 109.457 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.558 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -91.77 125.78 36.62 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.4 ' HB3' HD12 ' D' 1532 ' ' LEU . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.542 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.4 HD12 ' HB3' ' D' 1529 ' ' LEU . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 -106.22 95.32 5.69 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.1 m 54.9 -135.86 1.36 Allowed 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 113.889 -1.505 . . . . 0.0 109.921 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.68 -7.38 16.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.619 0.723 . . . . 0.0 109.181 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -108.92 -23.02 11.92 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.415 -165.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.63 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -142.12 164.18 26.91 Favored Glycine 0 C--N 1.267 -3.279 0 C-N-CA 119.301 -1.428 . . . . 0.0 114.256 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1550 ' ' MET . . . . . 0.46 ' HE2' ' HG3' ' D' 1624 ' ' PRO . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.426 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.587 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.539 ' SG ' HG22 ' D' 1552 ' ' ILE 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.634 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.448 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.63 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.2 mp0 -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.483 ' HA ' ' H ' ' D' 1564 ' ' GLY . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.748 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.446 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.546 ' N ' HG21 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.78 130.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 44.6 t -98.8 115.66 65.68 Favored Pre-proline 0 N--CA 1.436 -1.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.43 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.08 -26.91 77.71 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 124.061 3.174 . . . . 0.0 113.593 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 48.8 m -70.12 -0.97 8.71 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.521 ' HG2' ' H ' ' D' 1602 ' ' SER . 73.1 tttt -160.25 -162.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.521 ' H ' ' HG2' ' D' 1601 ' ' LYS . 20.4 m -141.12 108.8 5.62 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 119.167 0.894 . . . . 0.0 110.359 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.45 19.37 18.51 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' D' 1605 ' ' SER . 22.2 tp -121.31 169.27 10.75 Favored 'General case' 0 N--CA 1.385 -3.722 0 CA-C-N 112.133 -2.033 . . . . 0.0 108.568 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.522 ' N ' ' HG ' ' D' 1604 ' ' LEU . 70.4 m -144.1 176.95 8.92 Favored 'General case' 0 C--N 1.268 -2.978 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.629 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.541 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.499 ' HG3' ' H ' ' D' 1617 ' ' GLU . 24.8 tpt180 -128.38 132.56 24.42 Favored Pre-proline 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -71.64 -9.05 24.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.197 1.265 . . . . 0.0 110.184 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.499 ' H ' ' HG3' ' D' 1615 ' ' ARG . 17.3 mt-10 -95.04 144.97 25.29 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.66 167.92 10.84 Favored 'General case' 0 C--N 1.259 -3.368 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -78.02 170.1 54.79 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.932 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -65.67 -37.19 29.64 Favored 'Trans proline' 0 CA--C 1.501 -1.152 0 C-N-CA 123.39 2.727 . . . . 0.0 108.657 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 82.5 m -119.09 -28.04 5.57 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 112.751 -2.022 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 54.1 m-80 79.92 60.97 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.46 ' HG3' ' HE2' ' D' 1550 ' ' MET . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1625 ' ' MET . . . . . 0.435 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.474 HD12 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1632 ' ' GLN . . . . . 0.463 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1633 ' ' THR . . . . . 0.448 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.629 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.474 ' HB3' HD12 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.532 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' D' 1651 ' ' LYS . 7.0 tp10 168.22 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -60.05 -62.9 1.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.476 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.39 87.28 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.636 0.732 . . . . 0.0 111.585 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.8 p -80.68 -7.35 59.29 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.112 0.958 . . . . 0.0 110.753 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' 1647 ' ' GLU . 7.2 ttpm? -76.12 -37.86 57.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.564 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -108.23 -108.01 0.33 Allowed 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.554 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.656 0 CA-C-N 120.158 1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D 1511 ' ' ASN . . . . . 0.483 HD21 ' HB2' ' D' 1582 ' ' ARG . 52.7 t30 -87.26 -72.39 0.52 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' D' 1512 ' ' GLU . 5.5 pt-20 -87.79 -178.67 6.11 Favored 'General case' 0 C--N 1.263 -3.191 0 CA-C-N 113.389 -1.732 . . . . 0.0 108.782 176.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.452 ' HB3' ' H ' ' D' 1514 ' ' ASP . 7.5 t-80 -137.96 -96.77 0.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 115.542 -2.463 . . . . 0.0 112.431 -173.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1514 ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' D' 1513 ' ' HIS . 15.8 m-20 -104.63 19.7 19.94 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 73.17 168.79 0.31 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 127.509 2.323 . . . . 0.0 109.861 -172.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.628 HG21 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.442 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 18.7 m120 -62.32 137.14 95.95 Favored Pre-proline 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.434 ' CD ' ' H ' ' D' 1522 ' ' SER . 12.0 Cg_endo -89.97 -12.26 2.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 N-CA-C 106.839 -2.024 . . . . 0.0 106.839 171.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.434 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.7 m -73.89 -46.78 42.53 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 111.823 -2.444 . . . . 0.0 111.335 -175.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 -29.04 4.29 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.275 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 91.93 22.21 31.17 Favored Glycine 0 N--CA 1.399 -3.824 0 CA-C-N 114.429 -1.259 . . . . 0.0 112.105 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.442 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 79.3 t60 -84.95 138.7 32.33 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.553 -0.323 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.473 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? -92.45 126.34 37.49 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.127 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.552 ' HG ' HD22 ' D' 1581 ' ' LEU . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.765 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.765 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 -110.1 96.43 6.22 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1543 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' D' 1545 ' ' LYS . 42.3 t 58.21 -152.97 0.39 Allowed 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -172.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.63 4.28 25.7 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1545 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' D' 1543 ' ' SER . 0.1 OUTLIER -102.96 -26.09 13.22 Favored 'General case' 0 CA--C 1.473 -1.998 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.184 -168.534 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.401 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -153.64 -177.26 26.94 Favored Glycine 0 N--CA 1.429 -1.778 0 C-N-CA 118.763 -1.684 . . . . 0.0 114.957 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.594 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.602 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.501 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.469 ' CZ ' HG11 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.401 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.4 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.58 HD11 ' HB3' ' D' 1588 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.483 ' HB2' HD21 ' D' 1511 ' ' ASN . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.628 ' N ' HG21 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.58 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.594 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.7 143.24 17.0 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 12.9 p -74.15 113.59 24.99 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.425 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.66 -39.84 14.69 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.126 1.884 . . . . 0.0 110.568 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.8 m -69.58 -34.92 74.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 113.8 -1.546 . . . . 0.0 112.744 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -128.83 -162.38 1.19 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.254 -171.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 62.4 m -144.54 109.44 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 105.75 13.81 22.93 Favored Glycine 0 CA--C 1.473 -2.568 0 CA-C-O 123.065 1.369 . . . . 0.0 110.297 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' D' 1605 ' ' SER . 17.8 tp -121.03 -179.26 3.97 Favored 'General case' 0 N--CA 1.385 -3.688 0 CA-C-N 111.835 -2.182 . . . . 0.0 107.545 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.434 ' N ' ' HG ' ' D' 1604 ' ' LEU . 37.9 m -160.0 174.43 14.38 Favored 'General case' 0 C--N 1.274 -2.681 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.591 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.456 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' D' 1617 ' ' GLU . 17.5 ttt180 -141.95 111.48 6.17 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.39 -21.93 73.17 Favored 'Trans proline' 0 CA--C 1.512 -0.575 0 C-N-CA 122.071 1.847 . . . . 0.0 112.828 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' D' 1615 ' ' ARG . 0.9 OUTLIER -95.86 155.15 16.87 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.598 174.54 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.14 168.74 10.57 Favored 'General case' 0 C--N 1.262 -3.235 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.447 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -81.31 167.9 49.65 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -63.97 -34.6 58.81 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 123.626 2.884 . . . . 0.0 108.79 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 41.0 m -113.77 -34.9 5.33 Favored 'General case' 0 C--N 1.283 -2.29 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.999 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 74.87 63.48 0.07 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.499 1.52 . . . . 0.0 108.007 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.506 HD11 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1629 ' ' LEU . . . . . 0.441 HD13 ' HG ' ' D' 1636 ' ' LEU . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.591 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1636 ' ' LEU . . . . . 0.441 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.472 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.776 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.776 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 16.6 tp10 174.0 -36.48 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -66.05 -66.43 0.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.262 -1.79 . . . . 0.0 112.528 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -93.04 -15.34 26.26 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 122.094 0.95 . . . . 0.0 109.597 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1650 ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' D' 1646 ' ' CYS . 3.4 m -66.28 -11.18 48.89 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.715 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -14.45 61.73 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.589 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -95.08 -67.25 0.86 Allowed 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.116 0 CA-C-N 118.707 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1510 ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 16.8 m . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -112.71 -29.48 7.41 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 122.512 1.149 . . . . 0.0 109.357 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' D' 1512 ' ' GLU . 0.7 OUTLIER -87.87 -179.61 6.28 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.288 178.204 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.74 -80.46 0.61 Allowed 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 119.178 -1.009 . . . . 0.0 112.082 -174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -100.14 4.49 44.52 Favored 'General case' 0 C--N 1.268 -2.946 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 72.45 161.71 0.25 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 112.477 -2.147 . . . . 0.0 109.934 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.421 HG23 HD23 ' D' 1526 ' ' LEU . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.464 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -60.32 131.07 90.08 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.442 ' CD ' ' H ' ' D' 1522 ' ' SER . 27.6 Cg_endo -88.99 -10.54 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 107.635 -1.717 . . . . 0.0 107.635 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.442 ' H ' ' CD ' ' D' 1521 ' ' PRO . 8.5 p -100.18 -20.58 15.88 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 111.938 -2.392 . . . . 0.0 112.666 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 26.3 m -125.25 -27.38 3.51 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.046 0.927 . . . . 0.0 109.204 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 77.08 24.38 66.56 Favored Glycine 0 N--CA 1.404 -3.439 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.791 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.433 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.8 t-80 -101.17 131.79 46.97 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.953 -0.623 . . . . 0.0 109.778 -177.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.421 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -85.15 132.59 34.28 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 122.826 0.45 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.665 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.665 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 -91.58 101.27 13.91 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.8 m 56.22 -138.82 0.98 Allowed 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.349 -1.296 . . . . 0.0 107.956 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -107.66 -7.31 16.47 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-O 121.473 0.654 . . . . 0.0 109.747 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -102.82 -34.06 9.14 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.402 -166.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -125.94 177.3 17.16 Favored Glycine 0 N--CA 1.405 -3.402 0 C-N-CA 118.356 -1.878 . . . . 0.0 115.693 -171.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.545 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.601 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1554 ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.522 ' O ' ' HB2' ' D' 1559 ' ' CYS . 2.5 t-20 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.442 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1570 ' ' THR . . . . . 0.416 ' HB ' HD13 ' D' 1572 ' ' ILE . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.478 HG23 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.456 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.564 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.608 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.486 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1596 ' ' SER . . . . . 0.478 ' HB2' HG23 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1597 ' ' PRO . . . . . 0.612 ' HA ' ' O ' ' D' 1604 ' ' LEU . 96.7 Cg_exo -49.05 128.46 19.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' D' 1599 ' ' PRO . 42.5 t -96.37 129.75 32.62 Favored Pre-proline 0 N--CA 1.421 -1.919 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -171.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 77.9 Cg_exo -57.68 -33.95 97.45 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.959 3.106 . . . . 0.0 114.751 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1600 ' ' SER . . . . . 0.438 ' H ' ' HG ' ' D' 1600 ' ' SER . 11.8 p -78.91 0.3 27.89 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.53 -165.0 2.12 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 5.7 m -138.81 108.74 6.32 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.382 0.992 . . . . 0.0 111.41 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 96.68 15.62 39.42 Favored Glycine 0 CA--C 1.461 -3.324 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 171.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' D' 1597 ' ' PRO . 51.2 tp -112.61 178.19 4.38 Favored 'General case' 1 N--CA 1.369 -4.518 0 CA-C-N 111.953 -2.124 . . . . 0.0 108.232 -174.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.404 ' H ' HD12 ' D' 1604 ' ' LEU . 40.8 m -156.05 169.86 23.5 Favored 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -174.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.602 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.455 HG22 HG22 ' D' 1591 ' ' VAL . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.647 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.534 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.464 ' NE ' ' HA ' ' D' 1615 ' ' ARG . 0.4 OUTLIER -136.61 101.12 9.89 Favored Pre-proline 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.6 -25.69 42.52 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.89 131.87 35.59 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.294 172.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.76 175.19 6.61 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.319 -171.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -94.55 167.52 27.31 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -68.28 -39.71 9.64 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 123.826 3.017 . . . . 0.0 110.346 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 39.3 m -105.9 -44.6 4.58 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.241 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 91.1 m-20 79.5 73.8 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.737 1.615 . . . . 0.0 109.931 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.602 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.534 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.689 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1644 ' ' LEU . . . . . 0.423 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.57 -32.55 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1648 ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' D' 1651 ' ' LYS . 26.9 mt-30 -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.692 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -88.55 -8.88 54.02 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.34 0.59 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 68.7 m -64.73 -7.38 10.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 124.166 0.986 . . . . 0.0 110.756 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.652 ' HG3' ' OE2' ' D' 1652 ' ' GLU . 22.5 pttp -77.01 -15.71 59.54 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.14 177.412 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1652 ' ' GLU . . . . . 0.652 ' OE2' ' HG3' ' D' 1651 ' ' LYS . 5.0 mp0 -105.62 82.01 1.75 Allowed 'General case' 0 C--O 1.252 1.194 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 121.192 -0.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.44 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.6 -30.01 10.26 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-O 122.087 0.946 . . . . 0.0 110.16 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -156.92 -177.52 6.67 Favored 'General case' 0 C--N 1.255 -3.506 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.546 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -144.25 -89.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -103.4 24.31 11.19 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.45 170.02 0.24 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.431 -169.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.495 HG23 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.503 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 4.0 t-20 -60.74 128.49 88.74 Favored Pre-proline 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -84.17 -8.59 9.81 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.429 -1.796 . . . . 0.0 107.429 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 1.5 m -84.44 -33.24 23.71 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 111.565 -2.561 . . . . 0.0 111.528 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 68.3 p -123.46 -30.4 3.66 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.8 0.809 . . . . 0.0 109.555 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 89.28 25.08 29.59 Favored Glycine 0 N--CA 1.408 -3.189 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.167 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' D' 1519 ' ' THR . 4.4 t60 -92.62 120.57 33.18 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.529 HD22 ' HB3' ' D' 1517 ' ' GLN . 24.2 mt -76.2 122.42 24.32 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.657 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.463 ' HB3' HD12 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.602 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.428 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 -85.0 95.12 8.98 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.0 m 56.11 -143.19 0.73 Allowed 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.06 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.13 4.5 24.97 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -107.74 -33.91 7.13 Favored 'General case' 0 CA--C 1.468 -2.205 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.277 -166.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -138.82 175.53 21.45 Favored Glycine 0 C--N 1.28 -2.577 0 C-N-CA 119.052 -1.547 . . . . 0.0 114.637 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.61 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.47 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.522 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.47 ' HA ' ' H ' ' D' 1564 ' ' GLY . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.419 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.498 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.7 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.61 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' D' 1576 ' ' LYS . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -48.33 112.74 0.65 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.563 ' HB3' ' O ' ' D' 1601 ' ' LYS . 42.2 t -70.3 138.32 86.74 Favored Pre-proline 0 N--CA 1.415 -2.198 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.493 -170.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 44.5 Cg_exo -61.12 -39.71 57.0 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 C-N-CA 122.861 2.374 . . . . 0.0 111.905 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 3.1 m -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.64 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' D' 1598 ' ' CYS . 34.5 mmtp -139.69 122.43 16.43 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 16.0 m -120.76 109.35 15.07 Favored 'General case' 0 C--N 1.256 -3.48 0 CA-C-O 122.449 1.118 . . . . 0.0 108.745 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 122.37 -13.15 8.92 Favored Glycine 0 CA--C 1.467 -2.956 0 N-CA-C 105.63 -2.988 . . . . 0.0 105.63 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.503 HD23 ' CB ' ' D' 1601 ' ' LYS . 33.5 tp -103.13 170.41 7.98 Favored 'General case' 1 N--CA 1.367 -4.579 0 CA-C-N 109.109 -3.546 . . . . 0.0 105.859 170.102 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 42.4 m -146.06 172.92 12.69 Favored 'General case' 0 C--N 1.249 -3.804 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.572 ' HB2' ' H ' ' D' 1592 ' ' TYR . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' D' 1638 ' ' PHE . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.649 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' D' 1615 ' ' ARG . 0.3 OUTLIER -143.72 114.35 5.55 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.23 -10.37 27.12 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 121.493 1.462 . . . . 0.0 112.221 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.487 ' H ' ' HG3' ' D' 1615 ' ' ARG . 18.9 mt-10 -91.31 138.45 31.57 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.46 -171.95 2.31 Favored 'General case' 0 C--N 1.261 -3.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.735 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -128.5 163.18 22.06 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.45 -43.34 10.78 Favored 'Trans proline' 0 CA--C 1.489 -1.73 0 C-N-CA 123.574 2.849 . . . . 0.0 109.213 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.0 m -104.93 -47.0 4.13 Favored 'General case' 0 C--N 1.275 -2.648 0 CA-C-N 113.216 -1.811 . . . . 0.0 108.234 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1622 ' ' ASN . . . . . 0.503 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 75.72 78.29 0.1 Allowed 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 112.755 -2.02 . . . . 0.0 106.784 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.488 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.435 HD12 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' D' 1601 ' ' LYS . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.435 ' HB3' HD12 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.503 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.654 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.469 ' O ' ' HE3' ' D' 1651 ' ' LYS . 0.3 OUTLIER -167.69 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -65.02 -46.97 79.09 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.952 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -77.32 -17.87 57.93 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.758 0.789 . . . . 0.0 110.48 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.9 m -76.5 -8.0 56.28 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 122.507 1.146 . . . . 0.0 109.255 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' D' 1647 ' ' GLU . 8.0 mmpt? -80.33 -13.91 58.79 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.828 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -109.62 73.87 0.87 Allowed 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.386 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.257 -3.446 0 CA-C-N 118.957 0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D 1510 ' ' SER . . . . . 0.462 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 19.3 m . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -140.2 11.48 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.261 1.029 . . . . 0.0 111.001 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' D' 1581 ' ' LEU . 1.4 mp0 -84.98 -171.94 3.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.758 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -152.15 -76.28 0.13 Allowed 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.322 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.77 13.83 32.35 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.504 -1.225 . . . . 0.0 107.716 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 63.01 175.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.283 -1.781 . . . . 0.0 110.712 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' D' 1527 ' ' PHE . 81.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.409 HG21 ' HA ' ' D' 1582 ' ' ARG . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.439 ' OD1' ' HD2' ' D' 1521 ' ' PRO . 10.1 t-20 -66.39 132.58 94.33 Favored Pre-proline 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 46.2 Cg_endo -87.72 -1.28 7.38 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 N-CA-C 106.968 -1.974 . . . . 0.0 106.968 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 6.4 t -110.41 -6.81 14.87 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 112.341 -2.209 . . . . 0.0 110.908 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.7 m -131.95 -36.66 1.18 Allowed 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.777 0.798 . . . . 0.0 109.406 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 83.91 20.67 59.05 Favored Glycine 0 N--CA 1.402 -3.581 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 47.3 t60 -98.19 116.03 29.56 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 114.238 -0.981 . . . . 0.0 108.422 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.501 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -76.17 128.59 35.25 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.628 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.628 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.523 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 -110.57 102.38 10.97 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 15.6 m 55.07 -141.51 0.86 Allowed 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.39 -2.89 18.72 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.39 -33.1 8.74 Favored 'General case' 0 CA--C 1.471 -2.079 0 CA-C-N 113.847 -1.524 . . . . 0.0 110.951 -161.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.598 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -136.98 165.5 25.11 Favored Glycine 0 C--N 1.265 -3.387 0 CA-C-N 114.396 -1.274 . . . . 0.0 113.553 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1549 ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.459 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.59 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.563 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.585 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1565 ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.598 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.4 mp0 -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.493 ' HB ' HD13 ' D' 1636 ' ' LEU . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.495 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' D' 1512 ' ' GLU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.409 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.531 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.51 ' HB2' HD13 ' D' 1610 ' ' ILE . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -48.01 115.61 1.57 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' D' 1600 ' ' SER . 50.8 t -75.92 121.2 84.57 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.929 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -70.39 -28.71 21.9 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.199 2.6 . . . . 0.0 111.568 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1600 ' ' SER . . . . . 0.54 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.7 m -66.46 -15.65 63.51 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.075 -1.421 . . . . 0.0 112.625 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.523 ' HG2' ' H ' ' D' 1602 ' ' SER . 17.1 ttmm -148.47 -157.44 0.81 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 175.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.523 ' H ' ' HG2' ' D' 1601 ' ' LYS . 3.9 p -144.37 107.95 4.64 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 119.75 1.159 . . . . 0.0 113.708 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.9 14.65 28.57 Favored Glycine 0 CA--C 1.471 -2.694 0 CA-C-O 123.416 1.564 . . . . 0.0 109.652 171.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.438 HD12 ' H ' ' D' 1605 ' ' SER . 45.8 tp -121.25 179.51 4.39 Favored 'General case' 1 N--CA 1.367 -4.609 0 CA-C-N 111.859 -2.17 . . . . 0.0 108.146 -177.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.438 ' H ' HD12 ' D' 1604 ' ' LEU . 5.7 m -137.65 170.54 15.9 Favored 'General case' 0 C--N 1.268 -2.974 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.561 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.588 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1613 ' ' VAL . . . . . 0.406 HG12 ' HG2' ' D' 1615 ' ' ARG . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 -144.34 141.97 18.9 Favored Pre-proline 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.13 4.89 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.626 2.217 . . . . 0.0 110.205 172.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.19 -12.23 54.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.402 1.881 . . . . 0.0 115.811 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1618 ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' D' 1642 ' ' THR . . . -60.1 176.47 0.32 Allowed 'General case' 0 C--N 1.263 -3.167 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.203 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1619 ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' D' 1620 ' ' PRO . . . -159.36 -160.0 10.12 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 118.829 -1.653 . . . . 0.0 113.005 -172.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1620 ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' D' 1619 ' ' GLY . 55.6 Cg_endo -71.71 -26.15 19.72 Favored 'Trans proline' 0 CA--C 1.489 -1.762 0 C-N-CA 124.06 3.173 . . . . 0.0 110.242 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1621 ' ' THR . . . . . 0.477 HG22 ' HG2' ' D' 1623 ' ' ARG . 2.9 m -78.54 -61.92 1.85 Allowed 'General case' 0 C--N 1.267 -3.009 0 CA-C-N 112.451 -2.158 . . . . 0.0 108.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 59.82 72.29 0.53 Allowed 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 125.596 1.559 . . . . 0.0 109.089 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.487 HD11 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.431 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1636 ' ' LEU . . . . . 0.493 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.588 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1641 ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.02 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -79.76 -53.62 6.63 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.603 -175.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.17 -9.32 58.44 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.99 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.2 m -70.03 -10.14 57.65 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 122.446 1.117 . . . . 0.0 109.483 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.3 -7.86 46.8 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.321 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -109.54 -82.46 0.57 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.005 0 CA-C-N 119.425 1.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -166.53 111.18 0.78 Allowed 'General case' 0 CA--C 1.482 -1.669 0 C-N-CA 124.893 1.277 . . . . 0.0 108.073 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.26 159.65 28.71 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -112.73 -82.49 0.59 Allowed 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 117.933 -1.507 . . . . 0.0 110.48 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.62 17.41 24.15 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.587 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 67.49 174.34 0.26 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.176 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.564 HG21 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.514 ' HB2' ' H ' ' D' 1525 ' ' HIS . 10.6 m120 -65.54 119.59 61.22 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.411 ' CD ' ' H ' ' D' 1522 ' ' SER . 37.5 Cg_endo -87.49 -9.76 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 121.595 1.53 . . . . 0.0 108.313 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.411 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.4 p -106.41 -11.08 16.06 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 112.469 -2.151 . . . . 0.0 112.247 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.1 m -128.18 -32.38 2.26 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.771 0.796 . . . . 0.0 109.116 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 87.25 17.15 59.51 Favored Glycine 0 N--CA 1.419 -2.441 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.923 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.514 ' H ' ' HB2' ' D' 1520 ' ' ASN . 67.5 t60 -88.41 136.19 33.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.424 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.538 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -100.62 133.81 44.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.568 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1528 ' ' ASP . . . . . 0.521 ' O ' HD11 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.465 HD11 HD13 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.571 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.571 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1534 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.475 ' HG2' ' HB2' ' D' 1557 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.425 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 -116.78 105.76 12.74 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 48.2 t 57.55 -147.45 0.52 Allowed 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -106.13 -4.09 20.73 Favored 'General case' 0 C--N 1.282 -2.347 0 CA-C-O 121.677 0.751 . . . . 0.0 109.403 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 63.7 pttt -115.5 -24.55 8.29 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.254 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -123.32 159.6 17.94 Favored Glycine 0 N--CA 1.405 -3.424 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.892 -172.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.519 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.687 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.564 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.475 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1575 ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 19.0 m120 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.587 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.56 HD13 HD23 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.564 ' HA ' HG21 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.424 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.56 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1609 ' ' VAL . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.687 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1597 ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' D' 1604 ' ' LEU . 50.9 Cg_exo -47.79 123.4 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 48.1 t -95.9 139.8 22.0 Favored Pre-proline 0 C--N 1.295 -1.775 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.376 -173.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.88 -30.09 84.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.075 3.183 . . . . 0.0 113.805 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 16.1 m -61.39 -20.08 62.63 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.584 ' HB2' HD23 ' D' 1604 ' ' LEU . 8.6 mmtm -155.11 -158.79 0.87 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 48.7 m -141.48 107.12 5.08 Favored 'General case' 0 N--CA 1.42 -1.928 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.23 7.75 39.89 Favored Glycine 0 CA--C 1.476 -2.39 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.584 HD23 ' HB2' ' D' 1601 ' ' LYS . 51.4 tp -102.63 162.1 13.2 Favored 'General case' 0 N--CA 1.383 -3.776 0 CA-C-N 111.917 -2.142 . . . . 0.0 107.649 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.431 ' H ' HD12 ' D' 1604 ' ' LEU . 8.8 m -147.14 168.29 22.01 Favored 'General case' 0 C--N 1.26 -3.284 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -170.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.48 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1591 ' ' VAL . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.53 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' D' 1529 ' ' LEU . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.482 ' HG3' ' H ' ' D' 1617 ' ' GLU . 26.7 tpt180 -140.82 126.4 11.26 Favored Pre-proline 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.77 -19.16 64.35 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.808 1.672 . . . . 0.0 110.909 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' D' 1615 ' ' ARG . 18.3 mt-10 -85.42 131.37 34.4 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.56 156.09 16.67 Favored 'General case' 0 C--N 1.246 -3.915 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.753 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -77.67 166.97 53.58 Favored Glycine 0 C--N 1.295 -1.719 0 C-N-CA 119.375 -1.393 . . . . 0.0 110.438 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.78 -37.26 21.31 Favored 'Trans proline' 0 CA--C 1.496 -1.386 0 C-N-CA 123.514 2.81 . . . . 0.0 108.551 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.5 m -108.69 -34.1 6.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 112.634 -2.075 . . . . 0.0 110.626 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 13.3 m120 70.75 73.14 0.2 Allowed 'General case' 0 CA--C 1.485 -1.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.355 -170.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.554 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' 1642 ' ' THR . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1644 ' ' LEU . . . . . 0.521 HD11 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -65.85 -63.29 1.12 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.754 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.14 80.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.268 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 57.3 m -71.42 -18.83 62.31 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.138 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 53.2 tptt -97.06 -35.3 10.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.09 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -90.56 74.25 6.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.671 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.247 -3.851 0 CA-C-N 119.337 0.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.241 0.648 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -83.19 -23.97 32.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.73 1.253 . . . . 0.0 107.742 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -173.19 3.63 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.057 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.419 ' C ' ' H ' ' D' 1515 ' ' ASP . 31.3 m80 -146.43 -88.39 0.1 Allowed 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -93.94 19.02 9.53 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.419 ' H ' ' C ' ' D' 1513 ' ' HIS . 13.9 m-20 67.58 168.57 0.25 Allowed 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 127.177 2.191 . . . . 0.0 110.598 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.535 ' ND2' ' HB3' ' D' 1525 ' ' HIS . 14.4 m-80 -58.59 133.41 85.83 Favored Pre-proline 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -92.22 -7.3 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 N-CA-C 107.948 -1.597 . . . . 0.0 107.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 13.4 m -93.88 -35.6 12.62 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 112.872 -1.967 . . . . 0.0 113.23 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 47.6 p -119.47 -28.83 5.26 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 122.148 0.975 . . . . 0.0 108.822 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 92.56 14.0 56.12 Favored Glycine 1 N--CA 1.395 -4.086 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.951 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.535 ' HB3' ' ND2' ' D' 1520 ' ' ASN . 44.3 t-80 -76.37 138.68 40.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt -100.88 134.69 43.49 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.566 ' HG ' HD22 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.618 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.618 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.563 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 -110.36 96.02 5.94 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 60.46 -147.64 0.45 Allowed 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.295 -173.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.57 -3.35 20.86 Favored 'General case' 0 C--N 1.284 -2.283 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 14.9 pttp -107.21 -19.49 13.58 Favored 'General case' 0 CA--C 1.472 -2.054 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.16 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.451 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -152.01 172.52 31.32 Favored Glycine 0 N--CA 1.423 -2.185 0 C-N-CA 118.568 -1.777 . . . . 0.0 113.707 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.697 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.553 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.497 ' HB2' ' N ' ' D' 1551 ' ' SER . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.563 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.411 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.451 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 7.9 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' D' 1571 ' ' ARG . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1575 ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.578 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.459 ' HA ' HG21 ' D' 1518 ' ' VAL . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.617 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1609 ' ' VAL . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.621 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.518 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.01 120.32 2.89 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' D' 1600 ' ' SER . 50.3 t -86.08 131.73 45.77 Favored Pre-proline 0 N--CA 1.419 -2.008 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.55 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 50.9 Cg_exo -61.7 -30.07 84.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.232 2.621 . . . . 0.0 112.631 176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1600 ' ' SER . . . . . 0.435 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 32.1 t -65.22 -12.99 57.08 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.425 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.618 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -159.98 -160.07 0.77 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.618 ' H ' ' HG3' ' D' 1601 ' ' LYS . 53.7 m -140.68 109.76 6.14 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 118.295 0.498 . . . . 0.0 110.091 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 99.9 20.32 16.87 Favored Glycine 0 CA--C 1.468 -2.882 0 N-CA-C 108.564 -1.815 . . . . 0.0 108.564 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.451 HD23 ' HB3' ' D' 1601 ' ' LYS . 45.1 tp -121.28 177.34 5.21 Favored 'General case' 1 N--CA 1.363 -4.783 0 CA-C-N 111.908 -2.146 . . . . 0.0 107.567 -177.637 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.446 ' H ' HD12 ' D' 1604 ' ' LEU . 66.4 m -160.28 176.5 11.64 Favored 'General case' 0 C--N 1.252 -3.636 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.621 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1591 ' ' VAL . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' 1639 ' ' SER . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' D' 1617 ' ' GLU . 71.9 ttt180 -126.84 113.96 22.3 Favored Pre-proline 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -67.62 -6.02 15.65 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.208 1.938 . . . . 0.0 111.82 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' D' 1615 ' ' ARG . 11.8 mt-10 -101.1 147.61 26.02 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.47 171.14 8.87 Favored 'General case' 0 C--N 1.263 -3.195 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.503 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -80.34 -176.59 50.18 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -73.28 -39.22 2.21 Favored 'Trans proline' 0 CA--C 1.502 -1.124 0 C-N-CA 122.799 2.333 . . . . 0.0 109.358 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 95.2 m -117.99 -37.37 3.41 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.11 -1.859 . . . . 0.0 110.792 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.6 m-80 82.19 67.21 0.02 OUTLIER 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 125.324 1.449 . . . . 0.0 109.03 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.447 ' HA ' ' O ' ' D' 1611 ' ' SER . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.489 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.605 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.522 ' OE1' ' HA ' ' D' 1647 ' ' GLU . 3.5 tp10 -166.17 -24.81 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1648 ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' D' 1652 ' ' GLU . 86.0 mm-40 -74.69 -57.27 4.03 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.68 67.49 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.814 1.245 . . . . 0.0 113.018 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1650 ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' D' 1647 ' ' GLU . 16.4 p -73.76 -20.97 60.35 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 122.249 1.023 . . . . 0.0 109.428 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -97.18 -7.16 33.11 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.469 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D 1652 ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' 1648 ' ' GLN . 42.2 mt-10 -93.83 -66.04 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.112 0 CA-C-N 118.801 0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.247 0.953 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 m-20 75.87 109.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 125.521 1.528 . . . . 0.0 112.428 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' D' 1512 ' ' GLU . 1.1 pm0 -68.8 166.75 16.91 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.589 173.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -128.72 -100.08 0.34 Allowed 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 117.608 -1.637 . . . . 0.0 113.067 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.23 8.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.494 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 79.72 167.17 0.18 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 112.422 -2.172 . . . . 0.0 110.886 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.406 HG21 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -57.92 135.46 83.59 Favored Pre-proline 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.474 ' CD ' ' H ' ' D' 1522 ' ' SER . 18.8 Cg_endo -90.59 -13.82 2.17 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.705 -1.69 . . . . 0.0 107.705 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.474 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.1 p -93.27 -21.53 19.54 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 111.909 -2.405 . . . . 0.0 111.864 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 34.5 m -127.78 -28.6 2.69 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.278 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.45 18.07 76.6 Favored Glycine 0 N--CA 1.415 -2.72 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.166 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 39.5 t-80 -92.19 132.31 36.74 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.397 -0.901 . . . . 0.0 109.543 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.409 HD21 ' HB3' ' D' 1517 ' ' GLN . 7.3 tt -93.43 137.28 32.88 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1528 ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.519 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.424 HD12 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 -99.26 103.27 15.11 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 85.7 p 48.72 -129.15 1.93 Allowed 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.918 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -108.25 -4.28 17.69 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.541 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -116.3 -33.37 4.99 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.187 -165.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.41 170.13 18.26 Favored Glycine 0 C--N 1.264 -3.417 0 C-N-CA 119.047 -1.549 . . . . 0.0 115.522 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1549 ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.564 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.517 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.612 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1568 ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.43 ' HB ' HD13 ' D' 1636 ' ' LEU . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.48 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.494 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.597 HD11 ' HB3' ' D' 1588 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.406 ' N ' HG21 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.499 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.597 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.439 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.439 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1595 ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -50.83 126.76 19.3 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' D' 1600 ' ' SER . 39.1 t -80.11 116.88 64.51 Favored Pre-proline 0 N--CA 1.439 -0.99 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.25 -177.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.54 -30.78 42.74 Favored 'Trans proline' 0 N--CA 1.484 0.957 0 C-N-CA 123.373 2.716 . . . . 0.0 112.504 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1600 ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 47.6 t -65.36 -29.43 70.15 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.689 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.447 ' HB2' HD23 ' D' 1604 ' ' LEU . 39.1 mmtm -133.06 -168.57 2.1 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.472 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 46.4 m -140.04 108.71 5.92 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.939 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.07 13.58 33.37 Favored Glycine 0 CA--C 1.473 -2.555 0 CA-C-O 123.405 1.558 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.49 HD12 ' H ' ' D' 1605 ' ' SER . 19.5 tp -122.33 160.35 25.54 Favored 'General case' 1 N--CA 1.375 -4.199 0 CA-C-N 111.468 -2.366 . . . . 0.0 108.197 178.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.49 ' H ' HD12 ' D' 1604 ' ' LEU . 20.8 m -140.01 173.65 11.31 Favored 'General case' 0 C--N 1.259 -3.328 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.701 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.487 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.518 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.606 ' HG2' ' H ' ' D' 1617 ' ' GLU . 78.2 ttt180 -142.8 125.48 9.01 Favored Pre-proline 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.16 -10.75 28.96 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 121.072 1.181 . . . . 0.0 111.836 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.606 ' H ' ' HG2' ' D' 1615 ' ' ARG . 30.2 mt-10 -100.59 142.23 32.35 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.85 -178.17 4.01 Favored 'General case' 0 C--N 1.256 -3.458 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -122.42 160.02 16.94 Favored Glycine 0 N--CA 1.42 -2.429 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 172.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.17 -44.23 5.28 Favored 'Trans proline' 0 CA--C 1.495 -1.468 0 C-N-CA 123.354 2.703 . . . . 0.0 108.609 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 50.1 m -85.43 -54.23 4.7 Favored 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.006 -1.906 . . . . 0.0 110.032 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 80.51 79.08 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 125.954 1.702 . . . . 0.0 107.713 -174.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.494 HD12 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1629 ' ' LEU . . . . . 0.429 HD13 ' HG ' ' D' 1636 ' ' LEU . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1633 ' ' THR . . . . . 0.439 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1636 ' ' LEU . . . . . 0.43 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.494 ' HB3' HD12 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.518 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.577 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 170.65 -31.84 0.0 OUTLIER 'General case' 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1648 ' ' GLN . . . . . 0.587 ' HA ' HE21 ' D' 1648 ' ' GLN . 0.0 OUTLIER -80.7 -65.2 1.04 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.684 178.579 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.85 -8.8 47.06 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -17.88 53.46 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 123.626 0.77 . . . . 0.0 110.43 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' D' 1648 ' ' GLN . 18.7 ptpt -78.85 -8.62 58.99 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.409 -175.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.29 89.26 3.71 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.017 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.439 -1.001 0 CA-C-O 120.692 0.282 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.53 0.78 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.311 1.053 . . . . 0.0 111.674 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' D' 1512 ' ' GLU . 0.6 OUTLIER -85.74 -169.02 2.45 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.527 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -116.31 -93.8 0.49 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.47 27.97 6.88 Favored 'General case' 0 C--N 1.278 -2.52 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 74.95 172.1 0.27 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.226 -174.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.514 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' D' 1524 ' ' GLY . 14.6 m120 -58.28 141.12 82.99 Favored Pre-proline 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -91.62 -4.44 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 106.867 -2.013 . . . . 0.0 106.867 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 10.5 m -106.9 -21.44 13.02 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.784 -176.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 6.1 m -124.55 -36.61 2.6 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.743 0.783 . . . . 0.0 109.191 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1524 ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' D' 1520 ' ' ASN . . . 75.82 33.22 51.73 Favored Glycine 1 N--CA 1.392 -4.3 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 -177.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.447 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 13.7 t60 -102.48 122.08 43.63 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.405 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -81.45 125.62 30.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.518 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.548 ' HB3' HD12 ' D' 1552 ' ' ILE . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.572 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 -103.32 93.69 5.11 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1543 ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' D' 1545 ' ' LYS . 19.5 m 54.46 -148.65 0.46 Allowed 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.624 -172.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -106.51 1.0 25.09 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1545 ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' 1543 ' ' SER . 62.6 pttt -111.83 -5.65 14.37 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 114.117 -1.401 . . . . 0.0 109.86 -168.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -154.28 167.22 32.34 Favored Glycine 0 C--N 1.273 -2.942 0 CA-C-N 114.472 -1.24 . . . . 0.0 113.407 179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.535 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.651 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.54 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.517 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.572 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.613 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.54 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.41 HD11 ' HB3' ' D' 1588 ' ' LEU . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.514 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.483 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.561 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.425 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' 1590 ' ' LEU . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1609 ' ' VAL . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.651 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -47.38 139.07 17.33 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 5.0 p -58.21 117.97 23.84 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.872 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.479 ' HD2' ' SG ' ' D' 1634 ' ' CYS . 40.6 Cg_endo -65.5 -37.93 27.7 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.163 2.576 . . . . 0.0 113.216 -174.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 7.2 m -114.38 8.24 16.57 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-N 114.382 -1.281 . . . . 0.0 112.547 -172.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 28.4 tttm -141.41 -166.67 2.24 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.255 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 10.3 p -143.11 109.82 5.49 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.76 16.89 22.8 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 123.203 1.446 . . . . 0.0 109.931 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' D' 1605 ' ' SER . 21.8 tp -121.47 -177.9 3.66 Favored 'General case' 1 N--CA 1.377 -4.122 0 CA-C-N 112.011 -2.094 . . . . 0.0 107.919 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.446 ' N ' ' HG ' ' D' 1604 ' ' LEU . 43.0 m -158.11 172.93 17.52 Favored 'General case' 0 C--N 1.275 -2.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' H ' ' D' 1592 ' ' TYR . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1591 ' ' VAL . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.547 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.562 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.529 ' HG3' ' H ' ' D' 1617 ' ' GLU . 24.8 tpt180 -141.25 123.0 9.15 Favored Pre-proline 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.8 -13.4 34.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 121.999 1.8 . . . . 0.0 111.345 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' D' 1615 ' ' ARG . 48.5 mm-40 -90.33 135.08 33.9 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-O 121.992 0.901 . . . . 0.0 108.61 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.09 -162.04 0.92 Allowed 'General case' 0 C--N 1.248 -3.828 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.644 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -129.54 168.51 21.04 Favored Glycine 0 C--N 1.291 -1.941 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.7 -38.97 46.18 Favored 'Trans proline' 0 CA--C 1.5 -1.202 0 C-N-CA 123.305 2.67 . . . . 0.0 108.066 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 67.1 m -107.75 -36.34 6.43 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 112.441 -2.163 . . . . 0.0 110.228 177.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1622 ' ' ASN . . . . . 0.502 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 52.8 t30 67.91 74.3 0.3 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 125.649 1.58 . . . . 0.0 107.299 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.508 HD11 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' D' 1599 ' ' PRO . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.432 ' HB3' HD12 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.508 ' HB3' HD11 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.502 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.459 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.718 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -173.61 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.44 -56.53 7.16 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.616 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.65 78.82 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.818 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 5.1 m -68.07 -21.14 65.0 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.046 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -81.36 -28.75 34.3 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.89 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -109.24 -106.14 0.35 Allowed 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.625 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.142 0 CA-C-N 119.759 1.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1510 ' ' SER . . . . . 0.423 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 20.5 m . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.88 -0.73 12.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.883 1.325 . . . . 0.0 108.291 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.423 ' OE2' ' HB3' ' D' 1510 ' ' SER . 1.3 mp0 -79.93 167.85 19.97 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.04 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -124.01 -89.65 0.58 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.353 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.77 13.63 13.89 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 66.51 -179.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 126.982 2.113 . . . . 0.0 111.802 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.494 HG22 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.716 ' HB3' ' N ' ' D' 1524 ' ' GLY . 40.7 t-20 -100.89 129.24 27.78 Favored Pre-proline 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.466 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 91.2 Cg_endo -83.7 -9.09 10.14 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.497 1.465 . . . . 0.0 108.434 -171.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -106.94 -43.86 4.55 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.068 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 17.2 m -140.21 -5.88 1.25 Allowed 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.755 -165.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1524 ' ' GLY . . . . . 0.716 ' N ' ' HB3' ' D' 1520 ' ' ASN . . . -152.49 56.03 0.44 Allowed Glycine 3 CA--C 1.419 -5.962 0 C-N-CA 116.929 -2.557 . . . . 0.0 111.59 -162.573 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -26.75 173.41 0.0 OUTLIER 'General case' 1 C--N 1.214 -5.298 1 C-N-CA 132.624 4.37 . . . . 0.0 116.4 179.447 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.494 ' N ' HG22 ' D' 1519 ' ' THR . 3.0 tm? -54.11 112.1 0.9 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.755 -175.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.42 ' HB3' HD12 ' D' 1532 ' ' LEU . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.42 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.597 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 -82.39 95.49 7.66 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1543 ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' D' 1545 ' ' LYS . 11.6 m 52.33 -137.62 1.19 Allowed 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 113.759 -1.564 . . . . 0.0 107.425 -172.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.75 2.16 19.87 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1545 ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' D' 1543 ' ' SER . 22.7 pttm -112.2 -33.18 6.3 Favored 'General case' 0 CA--C 1.464 -2.335 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.94 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.78 175.16 18.03 Favored Glycine 0 C--N 1.265 -3.378 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.511 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.597 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.53 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.495 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.54 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1570 ' ' THR . . . . . 0.409 HG22 HD13 ' D' 1572 ' ' ILE . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.409 HD13 HG22 ' D' 1570 ' ' THR . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1575 ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' D' 1594 ' ' ASP . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.647 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' D' 1520 ' ' ASN . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.659 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.722 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.595 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.513 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.41 127.5 26.19 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' D' 1600 ' ' SER . 43.6 t -74.5 121.3 84.93 Favored Pre-proline 0 C--N 1.289 -2.034 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -171.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -70.77 -20.77 29.65 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.59 2.86 . . . . 0.0 112.905 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1600 ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.4 m -79.05 -21.67 46.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.423 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.427 ' HG3' HD23 ' D' 1604 ' ' LEU . 74.0 mmtt -135.96 -165.75 1.76 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 47.4 m -143.37 108.5 4.98 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.188 0.518 . . . . 0.0 111.463 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.64 13.42 32.46 Favored Glycine 0 CA--C 1.471 -2.66 0 CA-C-O 123.302 1.501 . . . . 0.0 109.715 172.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.501 HD12 ' H ' ' D' 1605 ' ' SER . 30.0 tp -122.8 172.66 8.29 Favored 'General case' 1 N--CA 1.377 -4.093 0 CA-C-N 111.861 -2.169 . . . . 0.0 108.291 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.501 ' H ' HD12 ' D' 1604 ' ' LEU . 5.5 m -144.44 168.03 21.09 Favored 'General case' 0 C--N 1.27 -2.874 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.595 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.505 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.602 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.616 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.61 ' HB3' ' OE1' ' D' 1617 ' ' GLU . 16.8 mmm180 -137.44 134.3 18.51 Favored Pre-proline 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.08 -11.01 30.67 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 121.576 1.517 . . . . 0.0 111.475 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.61 ' OE1' ' HB3' ' D' 1615 ' ' ARG 0.274 0.2 OUTLIER -102.56 132.8 48.4 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-O 122.485 1.136 . . . . 0.0 112.94 174.32 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.19 157.7 15.78 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.266 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -79.81 159.99 44.52 Favored Glycine 0 N--CA 1.431 -1.678 0 C-N-CA 118.804 -1.665 . . . . 0.0 110.586 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.67 -41.22 15.24 Favored 'Trans proline' 0 CA--C 1.497 -1.35 0 C-N-CA 123.611 2.874 . . . . 0.0 108.481 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1621 ' ' THR . . . . . 0.505 HG22 ' HG2' ' D' 1623 ' ' ARG . 21.2 m -88.88 -38.74 14.33 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 113.077 -1.874 . . . . 0.0 109.154 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 67.39 66.84 0.39 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.761 2.024 . . . . 0.0 109.124 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.505 ' HG2' HG22 ' D' 1621 ' ' THR . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.475 HD12 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.572 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.572 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.475 ' HB3' HD12 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.562 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1644 ' ' LEU . . . . . 0.411 HD12 HD23 ' D' 1529 ' ' LEU . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' D' 1651 ' ' LYS . 46.8 tt0 174.0 -43.97 0.01 OUTLIER 'General case' 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -53.22 -66.2 0.43 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.188 -1.369 . . . . 0.0 113.376 -165.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.34 72.69 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.19 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 15.3 t -79.41 -6.4 56.77 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.465 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' D' 1647 ' ' GLU . 74.5 tttt -95.92 -6.49 39.04 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.229 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.32 -86.85 0.31 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.133 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.119 0 CA-C-N 119.777 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -151.73 -68.11 0.17 Allowed 'General case' 0 CA--C 1.481 -1.676 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' D' 1517 ' ' GLN . 0.0 OUTLIER -101.32 -165.89 1.25 Allowed 'General case' 1 C--N 1.24 -4.173 0 CA-C-N 112.314 -2.221 . . . . 0.0 108.301 174.28 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -142.0 -79.32 0.24 Allowed 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 118.667 -1.213 . . . . 0.0 110.069 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.02 17.15 24.76 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 71.44 170.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.054 -1.885 . . . . 0.0 109.934 -170.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.552 ' HB3' HD21 ' D' 1526 ' ' LEU . 78.5 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.524 HG21 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.6 135.29 96.3 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' D' 1522 ' ' SER . 72.5 Cg_endo -93.46 -4.86 2.93 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.374 2.049 . . . . 0.0 107.966 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.401 ' H ' ' CD ' ' D' 1521 ' ' PRO . 1.7 p -93.79 -16.25 24.34 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 111.977 -2.374 . . . . 0.0 112.718 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 38.2 p -138.09 -34.55 0.65 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.187 0.994 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 93.42 11.37 58.38 Favored Glycine 0 N--CA 1.405 -3.4 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.971 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -74.62 116.82 15.75 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.552 HD21 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt -86.66 136.13 33.15 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.732 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.732 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.562 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.589 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 -111.78 98.44 7.4 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 30.8 t 56.35 -142.87 0.74 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -174.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 -1.38 20.7 Favored 'General case' 0 C--N 1.268 -2.956 0 CA-C-O 121.707 0.765 . . . . 0.0 112.336 -176.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -18.53 9.46 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.862 -170.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -128.57 159.56 22.05 Favored Glycine 0 C--N 1.263 -3.5 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.742 -179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1547 ' ' LEU . . . . . 0.432 HD12 ' HA3' ' D' 1568 ' ' GLY . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1550 ' ' MET . . . . . 0.457 ' O ' ' HA3' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.589 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.562 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1561 ' ' PRO . . . . . 0.5 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1568 ' ' GLY . . . . . 0.432 ' HA3' HD12 ' D' 1547 ' ' LEU . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' 1571 ' ' ARG . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1575 ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' D' 1594 ' ' ASP . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' D' 1553 ' ' CYS . 19.5 m120 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.669 HD13 HD23 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.524 ' N ' HG21 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.513 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.669 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.543 HG12 ' HG3' ' D' 1593 ' ' LYS . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.543 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.3 113.08 1.05 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.546 ' HG ' ' HG ' ' D' 1634 ' ' CYS . 47.9 t -64.58 131.84 95.22 Favored Pre-proline 0 N--CA 1.416 -2.125 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -168.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 52.6 Cg_exo -65.18 -30.19 55.32 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 122.644 2.229 . . . . 0.0 111.855 173.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 15.0 m -84.72 -18.14 36.15 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.01 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.544 ' HB3' HD23 ' D' 1604 ' ' LEU . 0.0 OUTLIER -160.4 144.81 14.28 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 178.652 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 8.4 t -131.98 120.54 22.6 Favored 'General case' 0 C--N 1.274 -2.687 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -164.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 113.7 -5.4 24.38 Favored Glycine 0 C--N 1.27 -3.12 0 N-CA-C 105.757 -2.937 . . . . 0.0 105.757 -173.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.544 HD23 ' HB3' ' D' 1601 ' ' LYS . 40.9 tp -115.75 173.44 6.55 Favored 'General case' 1 N--CA 1.349 -5.48 0 CA-C-N 109.15 -3.525 . . . . 0.0 105.796 174.041 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m -158.74 174.61 14.76 Favored 'General case' 0 C--N 1.247 -3.881 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.593 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.539 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -139.13 123.29 11.23 Favored Pre-proline 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -62.46 -18.11 61.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.113 1.876 . . . . 0.0 110.88 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.45 134.69 33.56 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.82 172.97 7.54 Favored 'General case' 0 C--N 1.258 -3.374 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.764 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -87.33 166.94 36.96 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -66.91 -38.32 17.21 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 123.311 2.674 . . . . 0.0 108.781 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1621 ' ' THR . . . . . 0.499 ' HB ' ' HG3' ' D' 1623 ' ' ARG . 79.3 m -112.47 -27.29 8.31 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.543 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 53.0 m-80 71.57 72.61 0.17 Allowed 'General case' 0 CA--C 1.494 -1.173 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.131 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.499 ' HG3' ' HB ' ' D' 1621 ' ' THR . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.512 HD11 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.546 ' HG ' ' HG ' ' D' 1598 ' ' CYS . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.63 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -161.19 -36.21 0.05 OUTLIER 'General case' 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -87.81 -41.04 13.54 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.738 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1649 ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' D' 1646 ' ' CYS . . . -54.05 -35.06 61.6 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 124.569 1.148 . . . . 0.0 113.167 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 2.1 p -78.57 -22.92 46.42 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 122.825 1.298 . . . . 0.0 109.562 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.18 -6.88 58.9 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.554 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -102.79 -82.38 0.49 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.182 0 CA-C-N 119.757 1.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.244 0.811 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 80.61 -8.63 1.45 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.119 1.767 . . . . 0.0 112.218 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -167.71 1.57 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.47 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 27.6 t-80 -144.86 -87.61 0.11 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.167 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -101.87 23.97 10.63 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 69.95 167.4 0.29 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 112.024 -2.353 . . . . 0.0 109.821 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.708 ' HB3' HD21 ' D' 1526 ' ' LEU . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.547 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.481 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -67.32 132.39 93.26 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' D' 1522 ' ' SER . 10.1 Cg_endo -87.17 -16.65 3.24 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 N-CA-C 107.974 -1.587 . . . . 0.0 107.974 176.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.433 ' H ' ' CD ' ' D' 1521 ' ' PRO . 6.5 m -79.34 -38.96 33.88 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 112.027 -2.351 . . . . 0.0 112.539 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 35.4 p -122.83 -24.52 4.81 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-O 121.733 0.778 . . . . 0.0 109.885 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 84.36 22.31 54.54 Favored Glycine 1 N--CA 1.392 -4.276 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.481 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.0 t-80 -82.07 130.74 35.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.841 -0.679 . . . . 0.0 109.634 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.708 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -93.48 133.01 37.22 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD12 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.685 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.685 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -94.79 102.29 14.15 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 34.4 m 56.65 -140.08 0.88 Allowed 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.198 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.18 -0.81 20.75 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-O 121.34 0.59 . . . . 0.0 109.59 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -34.91 6.07 Favored 'General case' 0 CA--C 1.464 -2.361 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.172 -168.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.35 -176.73 14.6 Favored Glycine 0 C--N 1.278 -2.681 0 C-N-CA 118.619 -1.753 . . . . 0.0 115.115 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.684 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.484 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.59 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.546 ' H ' ' HD3' ' D' 1579 ' ' LYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.547 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.733 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 16.7 mm100 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' D' 1610 ' ' ILE . 7.4 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1609 ' ' VAL . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.684 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.47 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.02 124.76 6.16 Favored 'Trans proline' 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 52.6 t -94.35 110.56 49.36 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.063 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.67 -27.05 31.88 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 124.743 3.629 . . . . 0.0 115.186 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 33.9 t -55.8 -25.77 43.06 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.175 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.605 ' HG2' ' H ' ' D' 1602 ' ' SER . 61.9 tttp -145.69 -164.15 1.89 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.605 ' H ' ' HG2' ' D' 1601 ' ' LYS . 8.4 t -142.79 112.69 6.99 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.47 17.7 16.69 Favored Glycine 0 CA--C 1.48 -2.138 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.537 HD11 ' SG ' ' D' 1634 ' ' CYS . 17.0 tp -120.3 158.63 26.65 Favored 'General case' 0 N--CA 1.381 -3.881 0 CA-C-N 111.769 -2.215 . . . . 0.0 107.412 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m -141.35 171.82 13.54 Favored 'General case' 0 C--N 1.27 -2.872 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.768 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.473 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.576 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' D' 1617 ' ' GLU . 25.8 mmm180 -143.64 124.06 7.81 Favored Pre-proline 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.78 -0.7 10.19 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.763 2.308 . . . . 0.0 109.376 171.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.462 ' HB3' ' HB3' ' D' 1615 ' ' ARG 0.274 35.3 tt0 -71.98 -12.98 61.49 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 128.917 2.887 . . . . 0.0 110.536 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1618 ' ' ALA . . . . . 0.524 ' CB ' ' HD3' ' D' 1643 ' ' PRO . . . -55.49 168.2 0.42 Allowed 'General case' 0 C--N 1.269 -2.927 0 CA-C-N 112.537 -2.119 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -115.88 -177.82 18.36 Favored Glycine 0 N--CA 1.416 -2.649 0 C-N-CA 119.155 -1.498 . . . . 0.0 112.424 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.08 -19.28 12.31 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.626 2.884 . . . . 0.0 109.996 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 10.7 m -80.0 -62.62 1.63 Allowed 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 112.095 -2.32 . . . . 0.0 109.368 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 76.04 82.94 0.09 Allowed 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.397 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1626 ' ' LEU . . . . . 0.415 HD12 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.473 HD12 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.768 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.473 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.473 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.576 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.474 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' D' 1618 ' ' ALA . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 12.5 tp10 177.12 -30.52 0.0 OUTLIER 'General case' 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.45 -49.57 7.51 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.964 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.26 -13.23 60.42 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.365 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 27.8 m -69.14 -12.87 62.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.394 1.092 . . . . 0.0 109.663 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -70.16 -49.43 50.63 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.005 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -104.71 86.13 2.43 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.183 0 CA-C-N 119.168 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.79 6.5 48.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.652 1.215 . . . . 0.0 108.195 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 69.95 -74.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.433 1.893 . . . . 0.0 109.047 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.52 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 19.8 t-80 -145.95 -99.14 0.1 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -102.32 20.87 16.05 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 68.99 169.22 0.29 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 127.237 2.215 . . . . 0.0 109.038 -170.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.52 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.57 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -58.4 138.76 85.14 Favored Pre-proline 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.409 ' CD ' ' H ' ' D' 1522 ' ' SER . 61.2 Cg_endo -90.22 -9.25 3.72 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.94 -1.6 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.409 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.6 m -111.1 -12.29 14.18 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.579 -2.1 . . . . 0.0 111.344 -175.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1523 ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' D' 1520 ' ' ASN . 10.7 m -125.87 -35.71 2.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.86 25.47 60.15 Favored Glycine 0 N--CA 1.399 -3.77 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.517 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 54.6 t-80 -97.22 120.17 37.08 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.47 128.19 34.03 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.42 ' O ' ' HD2' ' D' 1624 ' ' PRO . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 -99.58 93.71 6.0 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 33.9 m 51.78 -143.12 0.69 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.402 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.65 1.6 25.26 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 124.311 1.045 . . . . 0.0 110.548 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 -23.58 11.5 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.921 -170.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.48 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -142.63 159.5 27.26 Favored Glycine 0 C--N 1.276 -2.771 0 C-N-CA 118.932 -1.604 . . . . 0.0 114.433 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.672 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' D' 1559 ' ' CYS . 1.6 t-20 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.453 ' H ' ' ND2' ' D' 1556 ' ' ASN . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.661 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.693 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.48 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.627 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.535 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.627 ' HB3' HD11 ' D' 1581 ' ' LEU . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.487 HG13 ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.672 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.401 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.42 111.66 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1598 ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 42.5 t -68.34 128.16 93.16 Favored Pre-proline 0 N--CA 1.427 -1.614 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.247 -172.429 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -58.35 -25.43 72.94 Favored 'Trans proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.347 3.365 . . . . 0.0 113.848 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.4 m -66.66 -16.36 64.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.79 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.599 ' HB2' HD23 ' D' 1604 ' ' LEU . 34.9 mmtm -157.66 -162.46 1.18 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 124.208 1.003 . . . . 0.0 109.026 -177.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 51.0 m -141.92 107.87 5.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 108.86 3.25 32.05 Favored Glycine 0 CA--C 1.475 -2.416 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.599 HD23 ' HB2' ' D' 1601 ' ' LYS . 28.0 tp -108.61 164.27 12.51 Favored 'General case' 0 C--N 1.269 -2.92 0 CA-C-N 111.406 -2.397 . . . . 0.0 107.486 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.418 ' HA ' ' H ' ' D' 1598 ' ' CYS . 48.8 m -153.87 175.46 13.31 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -172.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.535 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.474 HG22 HG22 ' D' 1591 ' ' VAL . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.537 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 -146.43 136.49 11.98 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.62 4.17 2.29 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.976 2.451 . . . . 0.0 111.613 172.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' D' 1615 ' ' ARG . 2.7 mp0 -59.85 -17.46 36.72 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.528 1.531 . . . . 0.0 114.89 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1618 ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' D' 1642 ' ' THR . . . -57.17 142.93 40.97 Favored 'General case' 0 C--N 1.261 -3.263 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -99.03 -162.49 29.71 Favored Glycine 0 N--CA 1.415 -2.716 0 C-N-CA 119.878 -1.154 . . . . 0.0 111.367 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.07 -27.52 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 123.063 2.508 . . . . 0.0 109.031 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 5.3 m -79.0 -60.02 2.55 Favored 'General case' 0 C--N 1.269 -2.911 0 CA-C-N 112.089 -2.323 . . . . 0.0 111.118 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 78.0 80.94 0.07 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 125.392 1.477 . . . . 0.0 109.713 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' D' 1539 ' ' THR . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.413 ' HB3' ' H ' ' D' 1635 ' ' THR . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.557 ' SG ' HD21 ' D' 1604 ' ' LEU . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.401 ' O ' HD12 ' D' 1626 ' ' LEU . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.537 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1641 ' ' HIS . . . . . 0.501 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 98.2 m-70 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.525 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.583 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 174.01 -35.01 0.0 OUTLIER 'General case' 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1648 ' ' GLN . . . . . 0.439 ' CG ' ' H ' ' D' 1649 ' ' ALA . 6.9 pt20 -100.67 -65.77 0.95 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.246 -1.797 . . . . 0.0 113.371 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1649 ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' D' 1648 ' ' GLN . . . -82.03 -5.85 58.69 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.699 1.6 . . . . 0.0 112.465 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.5 m -45.99 -25.6 0.58 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.093 1.357 . . . . 0.0 113.064 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -6.87 47.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.955 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -98.81 73.39 2.0 Allowed 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.245 -3.957 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.59 12.09 0.13 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.401 1.096 . . . . 0.0 110.485 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 -169.53 1.76 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -144.66 -74.78 0.24 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.312 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.02 10.82 36.21 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 68.58 176.65 0.27 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.596 -171.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.542 ' HB3' HD21 ' D' 1526 ' ' LEU . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.519 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' 1525 ' ' HIS . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.81 130.32 92.31 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.416 ' CD ' ' H ' ' D' 1522 ' ' SER . 60.2 Cg_endo -90.76 -6.04 4.29 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 121.839 1.693 . . . . 0.0 107.954 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.416 ' H ' ' CD ' ' D' 1521 ' ' PRO . 4.9 p -108.35 -4.46 17.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 112.011 -2.359 . . . . 0.0 111.854 -176.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.4 m -138.93 -33.91 0.62 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.532 0.682 . . . . 0.0 109.761 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 85.66 21.17 54.53 Favored Glycine 0 N--CA 1.423 -2.217 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.268 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' D' 1519 ' ' THR . 11.2 t60 -88.95 126.71 35.52 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? -93.82 126.85 39.25 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.466 ' HB3' HD12 ' D' 1532 ' ' LEU . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.648 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.466 HD12 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.559 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.414 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 -84.94 103.07 13.66 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 43.3 m 57.89 -131.63 1.34 Allowed 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.384 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.74 -14.14 14.86 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 62.5 mttm -101.01 -33.75 10.04 Favored 'General case' 0 CA--C 1.464 -2.334 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.826 -154.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -138.21 -173.47 12.97 Favored Glycine 0 C--N 1.26 -3.682 0 C-N-CA 118.453 -1.832 . . . . 0.0 114.31 -178.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1549 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' D' 1565 ' ' ALA . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.414 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.665 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.559 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.435 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1565 ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.689 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.496 ' HA ' ' H ' ' D' 1564 ' ' GLY . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.475 HD11 ' HB3' ' D' 1588 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.476 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.704 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.532 HG11 ' HB3' ' D' 1611 ' ' SER . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.475 ' HB3' HD11 ' D' 1581 ' ' LEU . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.663 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.552 ' HB2' HD13 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.608 HG12 ' HG3' ' D' 1593 ' ' LYS . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.608 ' HG3' HG12 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' D' 1576 ' ' LYS . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.48 122.7 5.99 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 42.1 t -82.99 132.26 51.43 Favored Pre-proline 0 N--CA 1.414 -2.243 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1599 ' ' PRO . . . . . 0.402 ' HD2' ' OH ' ' D' 1606 ' ' TYR . 52.5 Cg_exo -65.37 -33.31 48.12 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.861 2.374 . . . . 0.0 112.039 172.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.4 m -80.51 -23.58 39.99 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.159 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' D' 1601 ' ' LYS . 21.7 tptp -146.44 132.96 19.73 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 19.8 m -109.55 109.59 20.42 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-O 121.854 0.835 . . . . 0.0 111.1 -158.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.95 11.87 29.07 Favored Glycine 0 CA--C 1.46 -3.396 0 N-CA-C 108.387 -1.885 . . . . 0.0 108.387 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.444 HD12 ' H ' ' D' 1605 ' ' SER . 43.9 tp -120.34 176.76 5.31 Favored 'General case' 1 N--CA 1.356 -5.125 0 CA-C-N 111.385 -2.408 . . . . 0.0 107.076 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.444 ' H ' HD12 ' D' 1604 ' ' LEU . 14.5 m -143.35 168.09 20.63 Favored 'General case' 0 C--N 1.269 -2.893 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 -172.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.402 ' OH ' ' HD2' ' D' 1599 ' ' PRO . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.472 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.57 HG22 HG22 ' D' 1591 ' ' VAL . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.572 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' D' 1587 ' ' VAL . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 19.2 tpt180 -140.98 128.26 11.98 Favored Pre-proline 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.39 -1.28 9.96 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 121.977 1.785 . . . . 0.0 110.901 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -102.46 138.88 38.79 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.13 170.35 9.18 Favored 'General case' 0 C--N 1.255 -3.514 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.385 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -86.96 170.47 41.6 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.65 -39.83 19.66 Favored 'Trans proline' 0 CA--C 1.501 -1.17 0 C-N-CA 123.347 2.698 . . . . 0.0 108.454 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 95.7 m -115.66 -30.91 6.01 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 112.511 -2.131 . . . . 0.0 109.805 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 76.14 73.72 0.08 Allowed 'General case' 0 CA--C 1.479 -1.75 0 CA-C-N 113.925 -1.489 . . . . 0.0 108.536 -172.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.4 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' D' 1635 ' ' THR . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.472 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.4 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.572 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.482 ' CZ3' HD11 ' D' 1552 ' ' ILE . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.708 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.708 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -173.24 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.05 -42.59 47.15 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.463 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.0 m -72.1 -16.1 62.01 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.553 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 60.8 tttm -74.47 -25.49 59.42 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.941 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.16 -99.02 0.39 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.951 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.55 0 CA-C-N 119.251 0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D 1510 ' ' SER . . . . . 0.575 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 35.9 m . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -99.4 -29.91 12.5 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.75 1.262 . . . . 0.0 108.468 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.575 ' OE1' ' HB3' ' D' 1510 ' ' SER . 0.9 OUTLIER -89.17 -169.36 2.48 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 112.832 -1.985 . . . . 0.0 109.691 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' D' 1514 ' ' ASP . 24.7 t-80 -119.45 -93.07 0.52 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.826 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1514 ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' D' 1513 ' ' HIS . 11.4 m-20 -104.19 29.07 6.25 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 171.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 71.13 170.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 112.399 -2.182 . . . . 0.0 110.244 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.477 ' HB3' HD21 ' D' 1526 ' ' LEU . 33.2 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.578 HG21 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.517 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.511 ' HB2' ' H ' ' D' 1525 ' ' HIS . 15.9 m120 -62.03 129.01 91.6 Favored Pre-proline 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -90.67 -8.86 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 121.829 1.686 . . . . 0.0 108.303 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 16.0 m -93.47 -25.73 17.5 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.966 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 44.5 p -129.51 -23.6 2.88 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.836 0.826 . . . . 0.0 110.857 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.07 37.76 24.37 Favored Glycine 0 N--CA 1.404 -3.459 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.985 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.511 ' H ' ' HB2' ' D' 1520 ' ' ASN . 34.4 t-80 -102.73 143.6 32.17 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.501 -1.349 . . . . 0.0 108.405 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.517 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -102.14 133.47 46.93 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.477 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.549 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.24 98.89 12.04 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 14.9 m 60.16 -142.95 0.54 Allowed 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -107.55 -6.27 17.08 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 17.9 pttp -103.46 -23.75 13.51 Favored 'General case' 0 CA--C 1.472 -2.029 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.106 -163.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.592 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -142.82 -179.26 19.43 Favored Glycine 0 CA--C 1.467 -2.925 0 C-N-CA 117.89 -2.1 . . . . 0.0 114.128 176.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.549 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.543 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.592 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.0 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1570 ' ' THR . . . . . 0.45 ' HB ' HD13 ' D' 1572 ' ' ILE . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.45 HD13 ' HB ' ' D' 1570 ' ' THR . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.534 HD11 ' HB3' ' D' 1588 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.578 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.43 140.01 54.49 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 6.9 p -61.46 112.64 6.31 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 123.996 0.919 . . . . 0.0 112.007 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 -30.17 10.07 Favored 'Trans proline' 0 CA--C 1.511 -0.636 0 C-N-CA 122.351 2.034 . . . . 0.0 112.294 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.6 m -103.88 -0.49 29.04 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.731 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.404 ' HB2' HD23 ' D' 1604 ' ' LEU . 74.3 mmtt -141.29 -168.91 2.74 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -176.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 26.6 t -144.75 111.9 5.97 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.025 0.441 . . . . 0.0 111.549 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.62 15.82 21.69 Favored Glycine 0 CA--C 1.474 -2.491 0 CA-C-O 123.387 1.548 . . . . 0.0 109.908 172.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' D' 1605 ' ' SER . 29.0 tp -122.44 -176.36 3.36 Favored 'General case' 0 N--CA 1.38 -3.971 0 CA-C-N 111.681 -2.26 . . . . 0.0 108.733 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.409 ' N ' ' HG ' ' D' 1604 ' ' LEU . 49.5 m -161.5 175.36 12.22 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.587 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.412 HG13 ' NE2' ' D' 1589 ' ' GLN . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.566 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.522 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 55.2 ttt180 -146.76 104.86 3.93 Favored Pre-proline 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.0 -4.43 15.13 Favored 'Trans proline' 0 CA--C 1.55 1.292 0 C-N-CA 122.714 2.276 . . . . 0.0 112.502 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.522 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 24.2 mt-10 -84.59 11.8 8.18 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.043 1.337 . . . . 0.0 112.471 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1618 ' ' ALA . . . . . 0.405 ' CB ' ' HD3' ' D' 1643 ' ' PRO . . . -54.44 178.5 0.03 OUTLIER 'General case' 0 C--N 1.253 -3.608 0 C-N-CA 126.538 1.935 . . . . 0.0 113.475 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -105.23 -173.35 24.21 Favored Glycine 0 N--CA 1.426 -1.974 0 C-N-CA 119.21 -1.472 . . . . 0.0 112.84 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -79.38 -31.93 1.91 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 123.205 2.603 . . . . 0.0 110.256 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 19.7 m -79.12 -50.45 11.0 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.274 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 70.15 77.27 0.2 Allowed 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.363 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.43 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1633 ' ' THR . . . . . 0.4 ' C ' HD21 ' D' 1604 ' ' LEU . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.587 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.531 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.554 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.802 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.802 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -176.67 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -76.62 -57.86 3.61 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.709 -1.587 . . . . 0.0 109.152 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.49 64.33 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.061 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 10.7 m -64.11 -24.07 67.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.334 1.064 . . . . 0.0 109.89 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -17.35 26.13 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.305 -176.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.3 86.59 2.33 Favored 'General case' 0 N--CA 1.419 -1.997 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.124 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.244 -3.994 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 64.7 t30 67.41 2.43 2.88 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 125.441 1.497 . . . . 0.0 111.493 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.475 ' H ' ' HG2' ' D' 1512 ' ' GLU . 5.7 pt-20 -83.73 175.08 9.93 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 113.845 -1.525 . . . . 0.0 109.568 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1513 ' ' HIS . . . . . 0.429 ' C ' ' H ' ' D' 1515 ' ' ASP . 34.1 m-70 -132.94 -99.18 0.28 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.274 -0.971 . . . . 0.0 112.716 -174.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.97 25.28 6.15 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 68.94 161.87 0.21 Allowed 'General case' 0 CA--C 1.494 -1.207 0 C-N-CA 127.929 2.492 . . . . 0.0 110.038 -175.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.422 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.577 ' HB3' HD22 ' D' 1526 ' ' LEU . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.587 HG21 ' HA ' ' D' 1582 ' ' ARG . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 14.0 m120 -64.28 142.18 98.27 Favored Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.419 ' CD ' ' H ' ' D' 1522 ' ' SER . 69.7 Cg_endo -93.94 -11.3 1.4 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.806 1.671 . . . . 0.0 108.252 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.419 ' H ' ' CD ' ' D' 1521 ' ' PRO . 35.4 t -86.14 -35.19 20.31 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.935 -175.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 45.9 p -125.49 -33.62 2.77 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-O 122.205 1.002 . . . . 0.0 108.933 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 94.65 11.92 56.32 Favored Glycine 1 N--CA 1.394 -4.146 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.477 -178.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 60.5 t60 -66.84 131.55 46.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.544 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.577 HD22 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER -89.58 128.57 36.04 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 -178.602 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.564 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1538 ' ' PHE . . . . . 0.405 ' N ' ' O ' ' D' 1550 ' ' MET . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1542 ' ' TYR . . . . . 0.6 ' OH ' HD22 ' D' 1629 ' ' LEU . 14.4 t80 -95.24 94.79 8.09 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.2 m 51.46 -146.03 0.49 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.295 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.9 5.54 28.45 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -87.05 -22.59 25.36 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.279 -173.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 166.73 -156.06 27.67 Favored Glycine 0 C--N 1.285 -2.253 0 CA-C-N 113.781 -1.554 . . . . 0.0 114.327 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1547 ' ' LEU . . . . . 0.44 ' HA ' ' H ' ' D' 1542 ' ' TYR . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1550 ' ' MET . . . . . 0.405 ' O ' ' N ' ' D' 1538 ' ' PHE . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.51 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' D' 1533 ' ' SER . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.596 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1571 ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1575 ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1577 ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.452 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.45 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.587 ' HA ' HG21 ' D' 1518 ' ' VAL 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.533 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.437 ' HB2' HD12 ' D' 1610 ' ' ILE . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.472 HG13 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.565 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.76 118.45 4.47 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 49.1 t -85.64 132.78 43.43 Favored Pre-proline 0 C--N 1.287 -2.144 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.876 -169.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -62.14 -25.8 77.48 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.741 2.961 . . . . 0.0 113.603 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -18.09 45.36 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' D' 1602 ' ' SER . 76.6 tttt -160.54 -154.52 0.38 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.592 ' H ' ' HG2' ' D' 1601 ' ' LYS . 2.6 p -142.88 109.38 5.37 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 118.07 0.395 . . . . 0.0 110.528 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.66 23.59 8.72 Favored Glycine 0 CA--C 1.475 -2.437 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.575 HD21 ' SG ' ' D' 1634 ' ' CYS . 30.3 tp -121.84 172.47 8.15 Favored 'General case' 0 N--CA 1.383 -3.816 0 CA-C-N 112.155 -2.022 . . . . 0.0 108.225 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.441 ' H ' HD12 ' D' 1604 ' ' LEU . 26.7 m -158.26 169.77 23.75 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -173.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.565 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.42 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.524 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' D' 1617 ' ' GLU . 64.4 ttt180 -129.29 128.02 23.21 Favored Pre-proline 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.33 -11.5 26.76 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 120.973 1.116 . . . . 0.0 110.677 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.548 ' H ' ' HG2' ' D' 1615 ' ' ARG . 11.8 mt-10 -99.25 146.92 25.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.1 170.15 9.47 Favored 'General case' 0 C--N 1.266 -3.042 0 CA-C-O 120.713 0.292 . . . . 0.0 110.629 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -82.01 168.58 49.09 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.59 -39.77 20.13 Favored 'Trans proline' 0 CA--C 1.495 -1.429 0 C-N-CA 123.691 2.927 . . . . 0.0 109.251 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 89.7 m -114.34 -43.51 3.19 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.191 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 88.43 68.33 0.01 OUTLIER 'General case' 0 CA--C 1.472 -2.031 0 CA-C-N 112.945 -1.934 . . . . 0.0 108.417 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1629 ' ' LEU . . . . . 0.6 HD22 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.575 ' SG ' HD21 ' D' 1604 ' ' LEU . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' D' 1624 ' ' PRO . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.524 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 170.3 -20.37 0.0 OUTLIER 'General case' 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.09 -66.61 0.59 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.86 177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -84.52 -27.85 27.1 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.038 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.6 p -69.77 -19.55 63.51 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.112 0.958 . . . . 0.0 110.137 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -93.83 -7.75 42.42 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.128 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -95.4 -83.47 0.36 Allowed 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.316 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.239 0 CA-C-N 119.316 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1510 ' ' SER . . . . . 0.446 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 8.8 m . . . . . 0 N--CA 1.439 -1.012 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.33 -3.31 18.45 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 123.105 1.431 . . . . 0.0 108.132 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' 1510 ' ' SER . 3.1 mp0 -103.46 -160.46 0.78 Allowed 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.826 -1.988 . . . . 0.0 106.764 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.17 -83.17 0.09 Allowed 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1514 ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 12.1 m-20 -96.78 14.96 23.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 72.21 167.55 0.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 126.629 1.971 . . . . 0.0 111.31 -175.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1516 ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' D' 1527 ' ' PHE . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1518 ' ' VAL . . . . . 0.622 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1519 ' ' THR . . . . . 0.508 HG22 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.822 ' HB3' ' H ' ' D' 1524 ' ' GLY 0.251 10.5 t-20 -122.99 146.16 47.83 Favored Pre-proline 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -88.55 -14.49 3.07 Favored 'Trans proline' 0 C--N 1.284 -2.823 0 C-N-CA 121.268 1.312 . . . . 0.0 109.152 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 13.7 m -113.33 -33.38 5.96 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 54.5 m -138.64 -14.18 1.25 Allowed 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 121.642 0.734 . . . . 0.0 111.207 -166.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1524 ' ' GLY . . . . . 0.822 ' H ' ' HB3' ' D' 1520 ' ' ASN . . . -149.15 55.33 0.49 Allowed Glycine 3 N--CA 1.369 -5.826 0 C-N-CA 117.926 -2.083 . . . . 0.0 111.045 -168.094 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -27.56 170.44 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.22 0 C-N-CA 131.657 3.983 . . . . 0.0 115.689 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.508 ' N ' HG22 ' D' 1519 ' ' THR . 2.8 tm? -55.52 113.53 1.47 Allowed 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 120.733 -1.229 . . . . 0.0 111.989 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.467 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.602 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 -85.43 103.11 14.02 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 56.43 -144.15 0.68 Allowed 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.702 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 2.8 24.86 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.2 pttp -121.79 -30.65 4.1 Favored 'General case' 0 CA--C 1.479 -1.755 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.586 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -110.33 158.35 14.49 Favored Glycine 0 C--N 1.263 -3.519 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.542 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.637 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.455 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 57.7 t30 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.593 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.593 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.429 HG23 ' HB3' ' D' 1596 ' ' SER . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.433 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1578 ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.424 HH11 ' HD3' ' D' 1580 ' ' ARG . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.541 HD11 ' HB3' ' D' 1588 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1582 ' ' ARG . . . . . 0.622 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.697 ' HE2' ' HB2' ' D' 1520 ' ' ASN . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.541 ' HB3' HD11 ' D' 1581 ' ' LEU . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.3 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.637 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1593 ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1596 ' ' SER . . . . . 0.429 ' HB3' HG23 ' D' 1572 ' ' ILE . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -53.52 121.65 9.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 48.9 t -80.37 126.74 78.18 Favored Pre-proline 0 N--CA 1.41 -2.436 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.363 -170.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -58.66 -25.59 75.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 124.127 3.218 . . . . 0.0 113.431 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 35.1 t -53.9 -31.47 50.14 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.623 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -155.83 -149.18 0.25 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 -178.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.526 ' H ' ' HG3' ' D' 1601 ' ' LYS . 46.0 m -141.13 109.65 5.96 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 118.56 0.618 . . . . 0.0 109.958 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.14 21.2 11.13 Favored Glycine 0 CA--C 1.473 -2.54 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.626 HD21 ' SG ' ' D' 1634 ' ' CYS . 15.6 tp -121.68 164.16 17.83 Favored 'General case' 0 N--CA 1.389 -3.503 0 CA-C-N 111.951 -2.124 . . . . 0.0 107.208 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1605 ' ' SER . . . . . 0.401 ' H ' HD12 ' D' 1604 ' ' LEU . 3.5 m -152.04 168.12 26.25 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.541 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.577 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.489 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.54 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 -127.43 122.54 22.84 Favored Pre-proline 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD2' ' OE1' ' D' 1617 ' ' GLU . 16.9 Cg_exo -65.12 -20.9 63.28 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.331 1.354 . . . . 0.0 111.142 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.401 ' OE1' ' HD2' ' D' 1616 ' ' PRO . 1.1 pm0 -101.6 159.67 15.1 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.042 172.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -89.59 -170.91 3.0 Favored 'General case' 0 C--N 1.274 -2.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.538 -177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -94.82 173.15 31.79 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.84 -41.23 24.7 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 123.254 2.636 . . . . 0.0 108.118 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1621 ' ' THR . . . . . 0.444 HG22 ' HG2' ' D' 1623 ' ' ARG . 93.4 m -112.87 -29.59 7.33 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 76.68 60.99 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1624 ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1625 ' ' MET . . . . . 0.463 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.44 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1629 ' ' LEU . . . . . 0.421 HD13 ' HG ' ' D' 1636 ' ' LEU . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.626 ' SG ' HD21 ' D' 1604 ' ' LEU . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.541 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1636 ' ' LEU . . . . . 0.421 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1637 ' ' PHE . . . . . 0.44 ' HB3' HD12 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.478 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.54 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1641 ' ' HIS . . . . . 0.54 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.919 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1646 ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -174.17 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -62.91 -66.42 0.54 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.165 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -92.3 -8.69 44.46 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.754 -175.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 3.4 m -65.25 -7.74 14.46 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.579 1.181 . . . . 0.0 111.706 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.98 -7.45 58.15 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.89 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -100.76 -84.16 0.43 Allowed 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 CA-C-N 119.122 0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 68.8 90.43 0.1 Allowed 'General case' 0 C--O 1.255 1.375 0 C-N-CA 123.928 0.891 . . . . 0.0 108.936 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1512 ' ' GLU . . . . . 0.509 ' OE1' ' HB2' ' D' 1580 ' ' ARG 0.303 1.8 pm0 45.43 -175.13 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 114.3 -1.318 . . . . 0.0 113.198 -171.306 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -168.1 -84.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.896 -1.128 . . . . 0.0 110.158 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.32 -15.68 57.55 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.123 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1515 ' ' ASP . . . . . 0.478 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 75.69 159.76 0.22 Allowed 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.39 -175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1520 ' ' ASN . . . . . 0.401 ' HB2' ' H ' ' D' 1525 ' ' HIS 0.264 15.1 m-80 -57.61 137.47 82.28 Favored Pre-proline 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1521 ' ' PRO . . . . . 0.456 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.8 Cg_endo -92.46 -9.82 2.31 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 N-CA-C 107.319 -1.839 . . . . 0.0 107.319 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1522 ' ' SER . . . . . 0.456 ' H ' ' CD ' ' D' 1521 ' ' PRO . 64.9 p -91.08 -20.1 22.42 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.841 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 5.3 m -136.16 -34.69 0.79 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.667 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 80.53 22.9 61.36 Favored Glycine 0 N--CA 1.415 -2.721 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.945 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1525 ' ' HIS . . . . . 0.401 ' H ' ' HB2' ' D' 1520 ' ' ASN . 19.6 t-80 -104.79 141.96 35.57 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.86 -0.67 . . . . 0.0 109.98 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1526 ' ' LEU . . . . . 0.437 HD22 ' HB3' ' D' 1517 ' ' GLN . 47.3 mt -80.85 136.06 36.03 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1528 ' ' ASP . . . . . 0.523 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1530 ' ' SER . . . . . 0.574 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1532 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1533 ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1535 ' ' ARG . . . . . 0.595 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1537 ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1539 ' ' THR . . . . . 0.553 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 -102.29 93.78 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 95.4 p 47.26 -125.99 1.64 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.943 -1.48 . . . . 0.0 113.488 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.89 -14.39 14.98 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.783 -175.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -96.95 -27.33 14.69 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.589 -163.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -155.7 173.14 33.79 Favored Glycine 0 N--CA 1.405 -3.422 0 C-N-CA 118.522 -1.799 . . . . 0.0 114.481 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1548 ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' D' 1539 ' ' THR . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1551 ' ' SER . . . . . 0.425 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1553 ' ' CYS . . . . . 0.414 ' SG ' HG22 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1555 ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1556 ' ' ASN . . . . . 0.508 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1557 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1558 ' ' ASN . . . . . 0.451 HD22 ' HB3' ' D' 1566 ' ' CYS . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1560 ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1561 ' ' PRO . . . . . 0.431 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1564 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1567 ' ' PHE . . . . . 0.428 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1572 ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1573 ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1574 ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1576 ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1579 ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1580 ' ' ARG . . . . . 0.509 ' HB2' ' OE1' ' D' 1512 ' ' GLU . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1581 ' ' LEU . . . . . 0.64 HD11 ' HB3' ' D' 1588 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1583 ' ' TYR . . . . . 0.41 ' CE2' ' HD3' ' D' 1521 ' ' PRO . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1584 ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1586 ' ' GLN . . . . . 0.56 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1587 ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1588 ' ' LEU . . . . . 0.64 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1589 ' ' GLN . . . . . 0.677 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1590 ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.96 119.12 5.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 8.5 t -91.31 132.59 33.45 Favored Pre-proline 0 N--CA 1.416 -2.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.41 -170.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -56.0 -29.01 71.92 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 124.011 3.141 . . . . 0.0 113.813 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.2 m -52.75 -26.18 13.39 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.552 1.157 . . . . 0.0 114.057 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1601 ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' D' 1602 ' ' SER . 31.3 ttpt -160.19 -152.54 0.29 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1602 ' ' SER . . . . . 0.55 ' H ' ' HG2' ' D' 1601 ' ' LYS . 43.8 m -142.39 109.9 5.71 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.05 22.0 9.12 Favored Glycine 0 CA--C 1.474 -2.483 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1604 ' ' LEU . . . . . 0.691 HD21 ' SG ' ' D' 1634 ' ' CYS . 25.5 tp -121.47 156.43 32.79 Favored 'General case' 1 N--CA 1.379 -4.019 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.295 -175.62 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m -158.32 167.1 30.66 Favored 'General case' 0 C--N 1.251 -3.685 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1606 ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1607 ' ' LYS . . . . . 0.516 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D 1608 ' ' SER . . . . . 0.541 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1609 ' ' VAL . . . . . 0.559 HG13 HE21 ' D' 1589 ' ' GLN . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1610 ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1611 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1614 ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1615 ' ' ARG . . . . . 0.553 ' NE ' ' HA ' ' D' 1615 ' ' ARG . 3.7 mmp_? -131.93 129.5 21.89 Favored Pre-proline 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' D' 1617 ' ' GLU . 28.2 Cg_exo -62.25 -15.87 47.36 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.336 1.357 . . . . 0.0 110.714 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1617 ' ' GLU . . . . . 0.401 ' OE2' ' HD2' ' D' 1616 ' ' PRO . 1.2 mp0 -84.65 137.19 33.41 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.21 151.15 19.76 Favored 'General case' 0 C--N 1.27 -2.858 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1619 ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' D' 1620 ' ' PRO . . . -66.77 159.32 48.99 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.07 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1620 ' ' PRO . . . . . 0.421 ' HD3' ' HA2' ' D' 1619 ' ' GLY . 45.5 Cg_exo -60.93 -37.79 74.4 Favored 'Trans proline' 0 CA--C 1.493 -1.558 0 C-N-CA 124.28 3.32 . . . . 0.0 109.477 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 32.6 m -113.15 -32.26 6.37 Favored 'General case' 0 C--N 1.278 -2.543 0 CA-C-N 112.822 -1.99 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 68.3 m-20 77.96 60.08 0.03 OUTLIER 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 -175.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1623 ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1627 ' ' ILE . . . . . 0.419 HD11 ' OG ' ' D' 1639 ' ' SER . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1630 ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' D' 1635 ' ' THR . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1634 ' ' CYS . . . . . 0.691 ' SG ' HD21 ' D' 1604 ' ' LEU . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1635 ' ' THR . . . . . 0.516 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1638 ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1639 ' ' SER . . . . . 0.453 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1645 ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1647 ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' D' 1651 ' ' LYS . 0.4 OUTLIER 177.18 -43.8 0.01 OUTLIER 'General case' 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' D' D 1648 ' ' GLN . . . . . 0.536 ' OE1' ' HG2' ' D' 1586 ' ' GLN . 48.2 tt0 -58.46 -56.57 20.39 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 113.366 -1.743 . . . . 0.0 112.011 -175.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.8 66.26 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.906 0.86 . . . . 0.0 110.142 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 91.7 m -74.76 -7.97 54.97 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.222 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1651 ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' 1647 ' ' GLU . 21.8 mtpp -77.62 -7.75 56.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.672 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.35 100.15 10.02 Favored 'General case' 0 N--CA 1.41 -2.429 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.238 -4.273 0 CA-C-N 118.603 0.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 . . . . . 0 CA--C 1.505 -0.778 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' D' 1515 ' ' ASP . 20.7 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.695 HG21 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.537 HG23 HD23 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.537 HD23 HG23 ' D' 1519 ' ' THR . 3.3 tm? . . . . . 0 C--O 1.244 0.771 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.485 ' HB3' HD12 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.485 HD12 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.508 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -3.312 0 CA-C-O 121.994 0.775 . . . . 0.0 113.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.53 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.502 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.472 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.478 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' D' 1592 ' ' TYR . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . 0.408 ' HB ' HD13 ' D' 1572 ' ' ILE . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.408 HD13 ' HB ' ' D' 1570 ' ' THR . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.681 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.459 ' HD3' ' HA ' ' D' 1580 ' ' ARG . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.695 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.581 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.58 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.46 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.514 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo . . . . . 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 51.7 m . . . . . 0 N--CA 1.433 -1.313 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' D' 1634 ' ' CYS . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.58 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.405 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.585 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? . . . . . 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.436 -1.139 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.519 HD11 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.444 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' D' 1606 ' ' TYR . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.444 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.424 ' HB3' HD12 ' D' 1627 ' ' ILE . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.409 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . 0.473 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 . . . . . 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 120.986 0.422 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.494 ' HB3' HD21 ' D' 1526 ' ' LEU . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' D' 1581 ' ' LEU . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.6 m120 . . . . . 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.438 -1.075 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.563 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.412 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.563 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 . . . . . 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.393 -4.187 0 CA-C-O 122.614 1.119 . . . . 0.0 114.322 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.458 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.581 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.551 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.41 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.422 ' HB3' ' CZ ' ' D' 1582 ' ' ARG . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.609 HD11 ' HB3' ' D' 1588 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.624 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.624 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.609 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1609 ' ' VAL . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.581 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo . . . . . 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.617 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.547 ' HB2' ' H ' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 . . . . . 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 CA--C 1.476 -1.901 0 CA-C-O 122.451 1.12 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . 0.469 HD23 ' H ' ' D' 1629 ' ' LEU . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.617 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.615 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 . . . . . 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.446 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 . . . . . 0 C--O 1.238 0.485 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.546 HG21 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.558 HG23 HD23 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.2 m120 . . . . . 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.558 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.444 -0.728 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.4 ' HB3' HD12 ' D' 1532 ' ' LEU . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.542 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.4 HD12 ' HB3' ' D' 1529 ' ' LEU . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 . . . . . 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.63 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.408 -3.224 0 CA-C-O 121.964 0.758 . . . . 0.0 114.256 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . 0.46 ' HE2' ' HG3' ' D' 1624 ' ' PRO . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.426 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.587 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.539 ' SG ' HG22 ' D' 1552 ' ' ILE 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.634 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.448 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.63 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.2 mp0 -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.483 ' HA ' ' H ' ' D' 1564 ' ' GLY . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.748 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.446 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.546 ' N ' HG21 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo . . . . . 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.418 -2.027 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.629 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.541 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.46 ' HG3' ' HE2' ' D' 1550 ' ' MET . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . 0.435 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.474 HD12 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . 0.463 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . 0.448 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . 0.629 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.474 ' HB3' HD12 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.532 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . 0.447 ' HB2' ' O ' ' D' 1646 ' ' CYS . 7.0 tp10 . . . . . 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 . . . . . 0 C--O 1.238 0.486 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.628 HG21 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 18.7 m120 . . . . . 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.473 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? . . . . . 0 N--CA 1.438 -1.058 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.552 ' HG ' HD22 ' D' 1581 ' ' LEU . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.765 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.765 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 . . . . . 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.401 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.429 -1.778 0 N-CA-C 114.957 0.743 . . . . 0.0 114.957 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.594 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.602 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.501 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.469 ' CZ ' HG11 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.401 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.4 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.58 HD11 ' HB3' ' D' 1588 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.433 ' C ' HG21 ' D' 1518 ' ' VAL . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.628 ' N ' HG21 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.58 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.594 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo . . . . . 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 CA--C 1.498 -1.055 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.591 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.456 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 . . . . . 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 N--CA 1.447 -0.582 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.506 HD11 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . 0.441 HD13 ' HG ' ' D' 1636 ' ' LEU . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.591 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . 0.441 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.472 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 27.2 m80 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.776 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.776 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 . . . . . 0 CA--C 1.508 -0.648 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.421 HG23 HD23 ' D' 1526 ' ' LEU . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.464 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 . . . . . 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.421 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.665 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.665 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 . . . . . 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.499 ' HA2' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.405 -3.402 0 N-CA-C 115.693 1.037 . . . . 0.0 115.693 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.539 ' HB3' HD21 ' D' 1556 ' ' ASN . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.545 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.601 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.539 HD21 ' HB3' ' D' 1549 ' ' TYR . 27.4 t30 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.442 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.499 HE21 ' HA2' ' D' 1546 ' ' GLY . 64.8 mm-40 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . 0.416 ' HB ' HD13 ' D' 1572 ' ' ILE . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.478 HG23 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.456 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.564 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.608 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.486 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . 0.478 ' HB2' HG23 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_exo . . . . . 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 40.8 m . . . . . 0 N--CA 1.423 -1.825 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.602 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.455 HG22 HG22 ' D' 1591 ' ' VAL . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.647 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.534 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 91.1 m-20 . . . . . 0 CA--C 1.492 -1.251 0 CA-C-O 122.186 0.993 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.602 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.534 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.689 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . 0.423 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 CA--C 1.506 -0.72 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.495 HG23 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.503 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 0.2 OUTLIER . . . . . 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.529 HD22 ' HB3' ' D' 1517 ' ' GLN . 24.2 mt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.657 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.463 ' HB3' HD12 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.602 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.428 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -2.408 0 CA-C-O 121.874 0.708 . . . . 0.0 114.637 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.61 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.47 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.522 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.47 ' HA ' ' H ' ' D' 1564 ' ' GLY . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.419 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.498 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' D' 1610 ' ' ILE . 37.3 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.61 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' D' 1576 ' ' LYS . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo . . . . . 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.423 -1.781 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.572 ' HB2' ' H ' ' D' 1592 ' ' TYR . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' D' 1638 ' ' PHE . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.649 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' D' 1615 ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . 0.503 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 . . . . . 0 N--CA 1.408 -2.563 0 N-CA-C 106.784 -1.562 . . . . 0.0 106.784 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.488 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.435 HD12 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.435 ' HB3' HD12 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.503 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.654 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 . . . . . 0 C--O 1.224 -0.271 0 N-CA-C 110.712 -0.107 . . . . 0.0 110.712 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' D' 1527 ' ' PHE . 19.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.409 HG21 ' HA ' ' D' 1582 ' ' ARG . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.1 t-20 . . . . . 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.501 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.423 -1.802 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.628 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.628 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.523 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 . . . . . 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.598 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.416 -2.653 0 CA-C-O 121.762 0.646 . . . . 0.0 113.553 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.459 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.59 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.563 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.585 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.598 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.4 mp0 -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.493 ' HB ' HD13 ' D' 1636 ' ' LEU . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.495 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.409 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.531 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.51 ' HB2' HD13 ' D' 1610 ' ' ILE . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo . . . . . 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.7 m . . . . . 0 N--CA 1.428 -1.548 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.561 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.588 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . 0.406 HG12 ' HG2' ' D' 1615 ' ' ARG . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 . . . . . 0 CA--C 1.509 -0.623 0 CA-C-O 122.889 1.328 . . . . 0.0 109.089 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.487 HD11 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.431 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . 0.493 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.588 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.587 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 . . . . . 0 N--CA 1.444 -0.753 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.564 HG21 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.538 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.445 -0.724 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.568 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . 0.521 ' O ' HD11 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.465 HD11 HD13 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.571 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.571 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.475 ' HG2' ' HB2' ' D' 1557 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.425 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 . . . . . 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.405 -3.424 0 CA-C-O 122.45 1.028 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.519 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.687 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.564 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.475 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.587 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.56 HD13 HD23 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.564 ' HA ' HG21 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.424 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.56 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1609 ' ' VAL . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.687 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.421 -1.891 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.48 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1591 ' ' VAL . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.53 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' D' 1529 ' ' LEU . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.422 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 26.7 tpt180 . . . . . 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 39.7 m-80 . . . . . 0 CA--C 1.485 -1.534 0 CA-C-O 122.082 0.944 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.554 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' 1642 ' ' THR . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . 0.521 HD11 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.507 -0.711 0 CA-C-O 120.627 0.251 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.8 m120 . . . . . 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt . . . . . 0 N--CA 1.433 -1.299 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.566 ' HG ' HD22 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.618 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.618 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.563 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 . . . . . 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.451 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.423 -2.185 0 CA-C-O 121.243 0.357 . . . . 0.0 113.707 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.697 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.553 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.497 ' HB2' ' N ' ' D' 1551 ' ' SER . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.563 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.411 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.451 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 7.9 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' D' 1571 ' ' ARG . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.578 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.459 ' HA ' HG21 ' D' 1518 ' ' VAL . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.617 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1609 ' ' VAL . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.621 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.518 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo . . . . . 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.621 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1591 ' ' VAL . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' 1639 ' ' SER . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.6 m-80 . . . . . 0 CA--C 1.485 -1.536 0 CA-C-O 122.701 1.238 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.447 ' HA ' ' O ' ' D' 1611 ' ' SER . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.489 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.605 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . 0.522 ' HA ' ' OE1' ' D' 1647 ' ' GLU . 3.5 tp10 . . . . . 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.494 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 . . . . . 0 CA--C 1.497 -1.076 0 CA-C-O 121.035 0.445 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.406 HG21 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.409 HD21 ' HB3' ' D' 1517 ' ' GLN . 7.3 tt . . . . . 0 N--CA 1.435 -1.185 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.519 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.424 HD12 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.409 -3.121 0 CA-C-O 122.609 1.116 . . . . 0.0 115.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.564 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.517 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.612 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.43 ' HB ' HD13 ' D' 1636 ' ' LEU . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.48 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.494 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.597 HD11 ' HB3' ' D' 1588 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.406 ' N ' HG21 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.499 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.597 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.439 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.439 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo . . . . . 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . 0.455 ' HB3' ' O ' ' D' 1595 ' ' GLY . 20.8 m . . . . . 0 N--CA 1.432 -1.349 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.701 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.487 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.518 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 . . . . . 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.494 -1.187 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.494 HD12 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . 0.429 HD13 ' HG ' ' D' 1636 ' ' LEU . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . 0.439 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . 0.43 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.494 ' HB3' HD12 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.518 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.577 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 . . . . . 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.531 0.205 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.514 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.483 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 14.6 m120 . . . . . 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.405 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.436 -1.154 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.518 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.548 ' HB3' HD12 ' D' 1552 ' ' ILE . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.572 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 . . . . . 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.45 ' HA2' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.422 -2.243 0 CA-C-O 121.584 0.547 . . . . 0.0 113.407 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.535 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.651 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.54 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.517 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.572 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.45 HE21 ' HA2' ' D' 1546 ' ' GLY . 7.5 tp-100 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.613 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.54 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.41 HD11 ' HB3' ' D' 1588 ' ' LEU . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.514 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.483 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.561 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.425 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' 1590 ' ' LEU . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1609 ' ' VAL . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.651 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo . . . . . 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 43.0 m . . . . . 0 N--CA 1.435 -1.211 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' H ' ' D' 1592 ' ' TYR . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1591 ' ' VAL . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.547 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.562 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . 0.502 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.1 t-20 . . . . . 0 N--CA 1.424 -1.754 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.508 HD11 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.432 ' HB3' HD12 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.508 ' HB3' HD11 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.502 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.459 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.718 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.838 0.352 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.494 HG22 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.495 ' HB2' ' CZ ' ' D' 1583 ' ' TYR . 40.7 t-20 . . . . . 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.494 ' N ' HG22 ' D' 1519 ' ' THR . 3.0 tm? . . . . . 0 N--CA 1.448 -0.548 0 CA-C-O 122.21 1.005 . . . . 0.0 111.755 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.42 ' HB3' HD12 ' D' 1532 ' ' LEU . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.42 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.597 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 . . . . . 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.83 0 CA-C-O 121.491 0.495 . . . . 0.0 113.511 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.597 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.53 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.495 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.54 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . 0.409 HG22 HD13 ' D' 1572 ' ' ILE . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.409 HD13 HG22 ' D' 1570 ' ' THR . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' D' 1594 ' ' ASP . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.647 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' D' 1520 ' ' ASN . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.659 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.722 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.595 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.513 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo . . . . . 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.436 -1.141 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.595 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.505 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.602 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.616 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 . . . . . 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 . . . . . 0 N--CA 1.434 -1.268 0 CA-C-O 122.634 1.207 . . . . 0.0 109.124 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.475 HD12 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.572 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.572 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.475 ' HB3' HD12 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.562 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . 0.411 HD12 HD23 ' D' 1529 ' ' LEU . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 46.8 tt0 . . . . . 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 CA--C 1.518 -0.263 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.552 ' HB3' HD21 ' D' 1526 ' ' LEU . 28.4 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.524 HG21 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 . . . . . 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.552 HD21 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt . . . . . 0 N--CA 1.424 -1.731 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.732 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.732 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.562 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.589 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 . . . . . 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.52 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.412 -2.952 0 CA-C-O 121.329 0.405 . . . . 0.0 112.742 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . 0.432 HD12 ' HA3' ' D' 1568 ' ' GLY . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.41 ' HB2' HD22 ' D' 1558 ' ' ASN . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . 0.457 ' O ' ' HA3' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.589 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.562 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.41 HD22 ' HB2' ' D' 1549 ' ' TYR . 18.1 t30 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . 0.5 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . 0.432 ' HA3' HD12 ' D' 1547 ' ' LEU . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.52 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.4 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' 1571 ' ' ARG . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' D' 1594 ' ' ASP . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.3 m-80 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.669 HD13 HD23 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.524 ' N ' HG21 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.513 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.669 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.543 HG12 ' HG3' ' D' 1593 ' ' LYS . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.543 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo . . . . . 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.593 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.539 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 . . . . . 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 53.0 m-80 . . . . . 0 CA--C 1.494 -1.173 0 CA-C-O 122.419 1.104 . . . . 0.0 109.131 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.512 HD11 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.63 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 . . . . . 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 . . . . . 0 CA--C 1.509 -0.628 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.708 ' HB3' HD21 ' D' 1526 ' ' LEU . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.547 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 16.5 m120 . . . . . 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.708 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? . . . . . 0 N--CA 1.432 -1.343 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD12 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.685 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.685 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 . . . . . 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.475 -2.454 0 CA-C-O 122.226 0.904 . . . . 0.0 115.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.684 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.484 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.59 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.546 ' HD3' ' H ' ' D' 1579 ' ' LYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.547 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.733 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 31.3 mm-40 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.0 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1609 ' ' VAL . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.684 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.47 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo . . . . . 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m . . . . . 0 N--CA 1.436 -1.137 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.768 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.473 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.576 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 . . . . . 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 . . . . . 0 CA--C 1.489 -1.376 0 CA-C-O 122.577 1.18 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . 0.415 HD12 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.473 HD12 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . 0.768 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.473 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.473 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.576 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.474 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 12.5 tp10 . . . . . 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 CA--C 1.509 -0.62 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.57 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 . . . . . 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? . . . . . 0 N--CA 1.427 -1.619 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.42 ' O ' ' HD2' ' D' 1624 ' ' PRO . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.48 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.415 -2.734 0 CA-C-O 122.14 0.856 . . . . 0.0 114.433 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.438 ' HB3' HD21 ' D' 1556 ' ' ASN . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.672 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.5 t30 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.439 ' HB3' HD21 ' D' 1556 ' ' ASN . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.661 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.693 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.48 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.627 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.535 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.627 ' HB3' HD11 ' D' 1581 ' ' LEU . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.672 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.401 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo . . . . . 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 CA--C 1.498 -1.03 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.535 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.474 HG22 HG22 ' D' 1591 ' ' VAL . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.537 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.428 1.109 . . . . 0.0 109.713 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' D' 1539 ' ' THR . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.413 ' HB3' ' H ' ' D' 1635 ' ' THR . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.401 ' O ' HD12 ' D' 1626 ' ' LEU . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.537 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . 0.501 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 55.9 m80 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.525 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.583 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 . . . . . 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 . . . . . 0 CA--C 1.511 -0.546 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.542 ' HB3' HD21 ' D' 1526 ' ' LEU . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.519 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.432 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.466 ' HB3' HD12 ' D' 1532 ' ' LEU . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.648 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.466 HD12 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.559 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.414 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 . . . . . 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.652 ' HA3' HE21 ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.415 -2.71 0 CA-C-O 121.744 0.636 . . . . 0.0 114.31 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' D' 1565 ' ' ALA . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.414 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.665 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.559 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.435 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.689 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.652 HE21 ' HA3' ' D' 1546 ' ' GLY . 61.4 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.496 ' HA ' ' H ' ' D' 1564 ' ' GLY . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.475 HD11 ' HB3' ' D' 1588 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.476 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.704 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.532 HG11 ' HB3' ' D' 1611 ' ' SER . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.475 ' HB3' HD11 ' D' 1581 ' ' LEU . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.663 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.552 ' HB2' HD13 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.608 HG12 ' HG3' ' D' 1593 ' ' LYS . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.608 ' HG3' HG12 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' D' 1576 ' ' LYS . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.433 -1.288 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.472 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.57 HG22 HG22 ' D' 1591 ' ' VAL . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.572 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' D' 1587 ' ' VAL . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 19.2 tpt180 . . . . . 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 . . . . . 0 CA--C 1.479 -1.75 0 CA-C-O 122.431 1.11 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.4 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' D' 1635 ' ' THR . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.472 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.4 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.572 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.482 ' CZ3' HD11 ' D' 1552 ' ' ILE . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.708 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.708 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 . . . . . 0 N--CA 1.451 -0.415 0 CA-C-O 120.792 0.329 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.477 ' HB3' HD21 ' D' 1526 ' ' LEU . 36.5 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.578 HG21 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.517 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 15.9 m120 . . . . . 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.517 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? . . . . . 0 N--CA 1.438 -1.038 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.477 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.549 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 . . . . . 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.592 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 CA--C 1.467 -2.925 0 CA-C-O 121.924 0.736 . . . . 0.0 114.128 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.549 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.543 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.592 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.0 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . 0.45 ' HB ' HD13 ' D' 1572 ' ' ILE . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.45 HD13 ' HB ' ' D' 1570 ' ' THR . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.534 HD11 ' HB3' ' D' 1588 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.578 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo . . . . . 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 49.5 m . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.587 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.412 HG13 ' NE2' ' D' 1589 ' ' GLN . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.566 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 . . . . . 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 . . . . . 0 CA--C 1.496 -1.134 0 CA-C-O 122.273 1.035 . . . . 0.0 108.363 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.43 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.587 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.531 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.554 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.802 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.802 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 . . . . . 0 CA--C 1.494 -1.207 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.422 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.577 ' HB3' HD22 ' D' 1526 ' ' LEU . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.587 HG21 ' HA ' ' D' 1582 ' ' ARG . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.0 m120 . . . . . 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.577 HD22 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.564 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . 0.405 ' N ' ' O ' ' D' 1550 ' ' MET . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . 0.6 ' OH ' HD22 ' D' 1629 ' ' LEU . 14.4 t80 . . . . . 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -2.118 0 CA-C-O 121.888 0.716 . . . . 0.0 114.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . 0.44 ' HA ' ' H ' ' D' 1542 ' ' TYR . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . 0.405 ' O ' ' N ' ' D' 1538 ' ' PHE . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.51 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' D' 1533 ' ' SER . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.596 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.452 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.45 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.587 ' HA ' HG21 ' D' 1518 ' ' VAL 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.533 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 14.4 mm100 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.437 ' HB2' HD12 ' D' 1610 ' ' ILE . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.472 HG13 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.565 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo . . . . . 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 26.7 m . . . . . 0 CA--C 1.502 -0.88 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.565 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.42 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.524 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 . . . . . 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 . . . . . 0 CA--C 1.472 -2.031 0 CA-C-O 123.086 1.422 . . . . 0.0 108.417 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . 0.6 HD22 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' D' 1624 ' ' PRO . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.524 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 . . . . . 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 . . . . . 0 CA--C 1.508 -0.653 0 CA-C-O 121.094 0.473 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' D' 1527 ' ' PHE . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . 0.622 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . 0.508 HG22 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.697 ' HB2' ' HE2' ' D' 1583 ' ' TYR 0.251 10.5 t-20 . . . . . 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 3 2 . 1 . 019 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.508 ' N ' HG22 ' D' 1519 ' ' THR . 2.8 tm? . . . . . 0 CA--C 1.508 -0.661 0 CA-C-O 121.903 0.859 . . . . 0.0 111.989 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.467 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.602 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 . . . . . 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -2.271 0 CA-C-O 121.511 0.506 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.637 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.455 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.593 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.593 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.429 HG23 ' HB3' ' D' 1596 ' ' SER . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.433 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . 0.424 HH11 ' HD3' ' D' 1580 ' ' ARG . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.541 HD11 ' HB3' ' D' 1588 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . 0.622 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . 0.697 ' HE2' ' HB2' ' D' 1520 ' ' ASN . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.541 ' HB3' HD11 ' D' 1581 ' ' LEU . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' D' 1610 ' ' ILE . 28.4 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.637 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . 0.429 ' HB3' HG23 ' D' 1572 ' ' ILE . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo . . . . . 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.541 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.577 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.489 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.54 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 . . . . . 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . 0.463 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.44 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . 0.421 HD13 ' HG ' ' D' 1636 ' ' LEU . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.541 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . 0.421 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . 0.44 ' HB3' HD12 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.478 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.54 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . 0.54 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.919 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 . . . . . 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D 1515 ' ' ASP . . . . . 0.478 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 . . . . . 0 CA--C 1.49 -1.331 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1520 ' ' ASN . . . . . 0.473 HD21 ' HB3' ' D' 1647 ' ' GLU 0.264 14.7 m120 . . . . . 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1526 ' ' LEU . . . . . 0.437 HD22 ' HB3' ' D' 1517 ' ' GLN . 47.3 mt . . . . . 0 C--O 1.238 0.481 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1528 ' ' ASP . . . . . 0.523 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1530 ' ' SER . . . . . 0.574 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1532 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1533 ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1535 ' ' ARG . . . . . 0.595 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1537 ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1539 ' ' THR . . . . . 0.553 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 . . . . . 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . . . . . . 0 N--CA 1.405 -3.422 0 CA-C-O 122.631 1.129 . . . . 0.0 114.481 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1548 ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' D' 1539 ' ' THR . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1551 ' ' SER . . . . . 0.425 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1553 ' ' CYS . . . . . 0.414 ' SG ' HG22 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1555 ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1556 ' ' ASN . . . . . 0.508 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1557 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1558 ' ' ASN . . . . . 0.451 HD22 ' HB3' ' D' 1566 ' ' CYS . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1560 ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1561 ' ' PRO . . . . . 0.431 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1564 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1567 ' ' PHE . . . . . 0.428 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1572 ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1573 ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1574 ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1576 ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1579 ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1581 ' ' LEU . . . . . 0.64 HD11 ' HB3' ' D' 1588 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1584 ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1586 ' ' GLN . . . . . 0.56 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1587 ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1588 ' ' LEU . . . . . 0.64 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1589 ' ' GLN . . . . . 0.677 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1590 ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.426 -1.647 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D 1606 ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1607 ' ' LYS . . . . . 0.516 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D 1608 ' ' SER . . . . . 0.541 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1609 ' ' VAL . . . . . 0.559 HG13 HE21 ' D' 1589 ' ' GLN . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1610 ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1611 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1614 ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1615 ' ' ARG . . . . . 0.553 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 3.7 mmp_? . . . . . 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 68.3 m-20 . . . . . 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D 1623 ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1627 ' ' ILE . . . . . 0.419 HD11 ' OG ' ' D' 1639 ' ' SER . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1630 ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' D' 1635 ' ' THR . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1635 ' ' THR . . . . . 0.516 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1638 ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1639 ' ' SER . . . . . 0.453 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1645 ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D 1647 ' ' GLU . . . . . 0.473 ' HB3' HD21 ' D' 1520 ' ' ASN . 0.4 OUTLIER . . . . . 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.056 -0.349 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 93.9 m-20 72.45 107.09 0.07 Allowed 'General case' 0 CA--C 1.492 -1.265 0 C-N-CA 124.72 1.208 . . . . 0.0 111.893 -178.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.535 ' OE1' ' HD3' ' D' 1580 ' ' ARG . 45.7 mt-10 76.39 -174.26 0.1 Allowed 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 125.099 1.359 . . . . 0.0 112.452 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -142.32 -76.6 0.27 Allowed 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 121.836 0.826 . . . . 0.0 110.179 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -98.66 7.93 45.53 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.461 ' O ' ' HG2' ' D' 1517 ' ' GLN . 66.4 m-20 75.5 164.32 0.26 Allowed 'General case' 0 CA--C 1.505 -0.778 0 C-N-CA 127.369 2.268 . . . . 0.0 110.191 -174.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.681 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 4.9 m 67.76 16.54 9.75 Favored 'General case' 0 C--O 1.255 1.368 0 C-N-CA 124.607 1.163 . . . . 0.0 109.907 176.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' D' 1515 ' ' ASP . 20.7 pt20 -153.32 131.59 11.99 Favored 'General case' 0 N--CA 1.419 -1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 108.419 -174.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.695 HG21 ' HA ' ' D' 1582 ' ' ARG . 6.4 p -132.13 149.73 32.85 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 C-N-CA 119.922 -0.711 . . . . 0.0 110.127 -173.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.537 HG23 HD23 ' D' 1526 ' ' LEU . 0.5 OUTLIER -104.96 140.7 37.78 Favored 'General case' 0 N--CA 1.394 -3.261 0 CA-C-N 114.859 -1.064 . . . . 0.0 113.318 -175.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.511 ' HB2' ' H ' ' D' 1525 ' ' HIS . 14.0 m120 -58.08 124.08 68.16 Favored Pre-proline 0 N--CA 1.434 -1.252 0 N-CA-C 105.748 -1.945 . . . . 0.0 105.748 162.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.418 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.4 Cg_endo -86.27 -10.87 6.5 Favored 'Trans proline' 0 C--N 1.312 -1.371 0 N-CA-C 107.756 -1.671 . . . . 0.0 107.756 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.418 ' H ' ' CD ' ' D' 1521 ' ' PRO . 2.2 m -102.28 -12.5 17.92 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-N 111.816 -2.447 . . . . 0.0 111.403 -175.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 3.7 m -128.96 -30.65 2.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.913 0.863 . . . . 0.0 109.496 -175.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.64 24.64 60.11 Favored Glycine 0 N--CA 1.418 -2.532 0 CA-C-N 114.416 -1.266 . . . . 0.0 110.825 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.511 ' H ' ' HB2' ' D' 1520 ' ' ASN . 41.9 t-80 -101.45 129.22 47.45 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.092 -1.054 . . . . 0.0 109.313 -178.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.537 HD23 HG23 ' D' 1519 ' ' THR . 3.3 tm? -90.44 141.98 28.2 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-O 121.03 0.443 . . . . 0.0 111.302 -176.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -116.52 130.6 56.84 Favored 'General case' 0 CA--C 1.465 -2.307 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.1 p30 -125.81 122.99 37.75 Favored 'General case' 0 C--N 1.256 -3.497 0 CA-C-O 121.651 0.739 . . . . 0.0 109.267 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.485 ' HB3' HD12 ' D' 1532 ' ' LEU . 54.3 mt -111.99 27.2 9.87 Favored 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.468 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.508 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.4 p -72.25 -20.42 61.54 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-N 115.19 -0.914 . . . . 0.0 113.102 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 34.0 t -75.48 -16.56 60.29 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.485 HD12 ' HB3' ' D' 1529 ' ' LEU . 73.3 mt -92.11 -20.5 21.2 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.292 -0.867 . . . . 0.0 108.854 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.508 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.1 m -68.55 173.17 5.28 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-N 114.86 -1.064 . . . . 0.0 113.43 -178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 112.15 158.85 14.45 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.453 -0.879 . . . . 0.0 113.343 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.658 ' HA ' ' O ' ' D' 1555 ' ' GLU . 61.5 mtp180 -69.06 -7.72 38.43 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 124.636 1.174 . . . . 0.0 112.248 -178.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.23 10.19 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.53 ' HA2' ' HA ' ' D' 1551 ' ' SER . . . 69.58 -174.23 35.78 Favored Glycine 0 C--N 1.302 -1.355 0 CA-C-N 113.927 -1.488 . . . . 0.0 114.342 176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -123.22 -178.39 3.97 Favored 'General case' 0 CA--C 1.479 -1.761 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.954 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.417 ' HA ' ' O ' ' D' 1548 ' ' VAL . 21.2 p -128.79 148.6 50.88 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.706 -173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.73 151.91 51.3 Favored 'General case' 0 C--N 1.281 -2.38 0 N-CA-C 105.652 -1.981 . . . . 0.0 105.652 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -94.07 115.25 27.54 Favored 'General case' 0 C--N 1.277 -2.549 0 C-N-CA 119.504 -0.879 . . . . 0.0 110.063 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.2 t80 -91.45 98.91 11.97 Favored 'General case' 0 N--CA 1.427 -1.621 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 31.7 m 53.75 -141.43 0.86 Allowed 'General case' 0 C--N 1.29 -1.982 0 CA-C-N 114.64 -1.164 . . . . 0.0 108.791 -174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.05 -3.28 20.19 Favored 'General case' 0 C--N 1.292 -1.93 0 CA-C-O 121.698 0.761 . . . . 0.0 111.568 -178.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 55.0 pttt -112.91 -22.87 10.41 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 122.212 1.006 . . . . 0.0 110.645 -169.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -124.48 162.29 18.7 Favored Glycine 0 N--CA 1.406 -3.312 0 CA-C-N 114.342 -1.299 . . . . 0.0 113.878 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.7 mt -134.79 145.62 48.55 Favored 'General case' 0 C--N 1.272 -2.771 0 N-CA-C 106.46 -1.681 . . . . 0.0 106.46 172.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.417 ' O ' ' HA ' ' D' 1539 ' ' THR . 43.6 t -101.59 148.36 7.47 Favored 'Isoleucine or valine' 0 C--N 1.267 -3.002 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 176.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -129.84 114.06 15.44 Favored 'General case' 0 CA--C 1.445 -3.079 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 21.8 ptt? -148.47 132.39 17.11 Favored 'General case' 0 N--CA 1.394 -3.272 0 C-N-CA 118.255 -1.378 . . . . 0.0 111.966 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.53 ' HA ' ' HA2' ' D' 1537 ' ' GLY . 4.5 p -94.07 149.35 21.31 Favored 'General case' 1 C--N 1.226 -4.766 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.282 -178.519 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.502 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.4 mm -89.17 122.57 40.66 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.883 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.6 p 70.09 -31.57 0.22 Allowed 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.743 2.417 . . . . 0.0 114.207 176.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -110.99 -178.28 20.46 Favored Glycine 0 CA--C 1.485 -1.81 0 CA-C-O 119.025 -0.875 . . . . 0.0 111.231 -177.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.658 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.6 OUTLIER -80.16 157.22 26.65 Favored 'General case' 0 CA--C 1.482 -1.656 0 CA-C-N 117.579 0.69 . . . . 0.0 110.473 179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.566 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.1 t-20 -104.81 146.37 29.08 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.608 -176.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -79.25 -8.08 58.76 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 -172.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.472 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 4.1 t30 -91.76 -8.96 45.34 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 123.32 1.534 . . . . 0.0 107.213 177.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.614 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 77.4 m -106.73 159.44 29.86 Favored Pre-proline 0 N--CA 1.394 -3.233 0 CA-C-N 112.345 -2.207 . . . . 0.0 107.67 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 6.7 Cg_exo -78.53 157.62 28.72 Favored 'Trans proline' 0 N--CA 1.443 -1.466 0 C-N-CA 121.626 1.551 . . . . 0.0 108.181 173.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.61 106.73 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.041 2.494 . . . . 0.0 112.225 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.93 -27.77 4.03 Favored Glycine 0 N--CA 1.43 -1.702 0 CA-C-N 115.329 -0.85 . . . . 0.0 111.773 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.614 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.4 t -93.95 134.04 32.94 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 107.274 -1.38 . . . . 0.0 107.274 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.478 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.24 -1.6 23.5 Favored Glycine 0 N--CA 1.412 -2.909 0 C-N-CA 119.368 -1.396 . . . . 0.0 111.012 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' D' 1592 ' ' TYR . . . -155.0 128.72 8.62 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 115.658 -0.271 . . . . 0.0 110.923 -177.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.551 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -151.57 -176.79 5.75 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -101.57 154.39 18.89 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.34 -27.67 43.03 Favored Glycine 0 C--N 1.298 -1.541 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.903 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -98.64 -45.28 6.12 Favored 'General case' 0 C--N 1.294 -1.811 0 C-N-CA 119.885 -0.726 . . . . 0.0 111.805 -177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . 0.408 ' HB ' HD13 ' D' 1572 ' ' ILE . 22.9 p -93.42 -28.16 16.3 Favored 'General case' 0 C--N 1.279 -2.475 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 -176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.406 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.1 OUTLIER 62.61 35.6 14.2 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 122.092 0.948 . . . . 0.0 112.638 -178.227 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.408 HD13 ' HB ' ' D' 1570 ' ' THR . 1.6 mp -87.75 114.93 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.29 0 N-CA-C 106.282 -1.748 . . . . 0.0 106.282 167.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 4.1 m -63.47 128.42 35.75 Favored 'General case' 0 N--CA 1.437 -1.105 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 27.1 m -111.1 16.16 8.08 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.174 0 CA-C-O 121.598 0.714 . . . . 0.0 110.064 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.24 154.75 7.2 Favored Glycine 0 N--CA 1.423 -2.223 0 C-N-CA 119.471 -1.347 . . . . 0.0 113.241 176.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.514 ' HE3' ' O ' ' D' 1594 ' ' ASP . 98.2 mttt -105.48 149.94 25.76 Favored 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.463 -0.369 . . . . 0.0 111.645 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -47.67 125.73 8.99 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.423 1.089 . . . . 0.0 112.898 176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.521 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.55 138.39 22.23 Favored 'General case' 0 CA--C 1.479 -1.754 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 176.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.681 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -111.5 22.77 14.72 Favored 'General case' 0 C--O 1.194 -1.847 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.852 -170.182 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.535 ' HD3' ' OE1' ' D' 1512 ' ' GLU . 19.9 mmt180 -91.94 84.53 5.36 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.688 -176.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.479 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 44.9 tp -83.13 121.06 26.56 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 107.753 -1.203 . . . . 0.0 107.753 178.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.695 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -130.73 147.1 52.35 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 118.688 -1.205 . . . . 0.0 113.313 179.044 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 12.3 t80 -84.1 116.3 22.82 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.581 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -144.11 108.77 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -175.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 36.3 t70 58.96 46.6 13.39 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 122.091 0.948 . . . . 0.0 110.744 176.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 70.14 1.18 3.43 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.68 1.192 . . . . 0.0 111.672 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.581 ' HB ' ' O ' ' D' 1584 ' ' VAL . 64.5 t -103.71 159.91 4.78 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.313 -1.365 . . . . 0.0 107.313 178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.473 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.8 mt -120.86 123.14 41.81 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 104.253 -2.499 . . . . 0.0 104.253 171.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.65 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.8 tt0 -127.91 137.18 52.21 Favored 'General case' 0 C--N 1.278 -2.52 0 C-N-CA 117.316 -1.754 . . . . 0.0 114.125 -172.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.6 mt -111.57 154.2 25.16 Favored 'General case' 0 CA--C 1.474 -1.976 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' D' 1608 ' ' SER . 69.5 t -140.59 115.3 6.38 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.63 0 N-CA-C 106.476 -1.675 . . . . 0.0 106.476 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.58 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.0 m-30 -99.93 101.15 12.18 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 -178.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.46 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.7 mtpm? -93.87 -179.31 4.94 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 121.242 -0.183 . . . . 0.0 111.118 -177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.514 ' O ' ' HE3' ' D' 1576 ' ' LYS . 8.0 m-20 63.48 36.06 11.55 Favored 'General case' 0 CA--C 1.494 -1.198 0 O-C-N 125.189 1.555 . . . . 0.0 111.964 172.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.83 -160.65 0.5 Allowed Glycine 0 CA--C 1.541 1.699 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.323 171.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 64.9 m -65.56 145.41 99.05 Favored Pre-proline 0 C--N 1.293 -1.85 0 O-C-N 121.836 -0.802 . . . . 0.0 110.357 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.27 133.5 19.53 Favored 'Trans proline' 0 C--N 1.361 1.207 0 C-N-CA 123.589 2.859 . . . . 0.0 112.149 178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' D' 1604 ' ' LEU . 9.9 p -59.65 116.83 18.29 Favored Pre-proline 0 C--N 1.307 -1.271 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.141 -177.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.47 -28.65 11.88 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.87 1.713 . . . . 0.0 110.958 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.0 p -92.77 -4.57 52.85 Favored 'General case' 0 C--N 1.278 -2.527 0 CA-C-N 113.511 -1.677 . . . . 0.0 114.336 -175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.57 ' HG2' ' H ' ' D' 1602 ' ' SER . 74.0 tttt -149.39 -158.51 0.92 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 -178.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.57 ' H ' ' HG2' ' D' 1601 ' ' LYS . 79.4 p -143.94 110.83 5.68 Favored 'General case' 0 N--CA 1.439 -0.994 0 CA-C-N 118.577 0.626 . . . . 0.0 111.253 -177.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.57 16.12 27.64 Favored Glycine 0 CA--C 1.468 -2.879 0 CA-C-O 123.087 1.382 . . . . 0.0 110.418 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.462 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 12.3 tp -120.7 178.22 4.78 Favored 'General case' 0 C--N 1.248 -3.846 0 CA-C-N 112.012 -2.094 . . . . 0.0 107.19 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.459 ' N ' ' HG ' ' D' 1604 ' ' LEU . 51.7 m -156.29 173.99 16.05 Favored 'General case' 0 C--N 1.281 -2.413 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 -174.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.412 ' HA ' ' HB3' ' D' 1634 ' ' CYS . 74.1 m-85 -81.15 150.95 28.48 Favored 'General case' 0 CA--C 1.479 -1.779 0 C-N-CA 119.957 -0.697 . . . . 0.0 109.137 177.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' D' 1592 ' ' TYR . 2.6 ptpp? -142.3 163.01 34.01 Favored 'General case' 0 N--CA 1.408 -2.553 0 C-N-CA 118.744 -1.182 . . . . 0.0 108.231 173.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.58 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.5 m -104.55 154.16 20.26 Favored 'General case' 0 C--N 1.25 -3.761 0 CA-C-N 114.123 -1.398 . . . . 0.0 110.922 176.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.405 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -132.72 104.03 6.81 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.029 0 N-CA-C 106.051 -1.833 . . . . 0.0 106.051 167.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.65 ' O ' ' HA ' ' D' 1589 ' ' GLN . 47.7 mt -99.55 91.55 2.31 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.48 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.585 ' O ' ' HA ' ' D' 1639 ' ' SER . 2.2 m -90.0 102.4 15.11 Favored 'General case' 0 C--N 1.276 -2.61 0 C-N-CA 119.087 -1.045 . . . . 0.0 108.954 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -76.08 124.41 27.36 Favored 'General case' 0 CA--C 1.475 -1.926 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 97.1 t -111.91 126.7 69.33 Favored 'Isoleucine or valine' 1 C--N 1.243 -4.052 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.898 -172.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.594 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.3 p -68.48 105.3 2.16 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.464 176.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' D' 1641 ' ' HIS . 4.2 tpm_? -137.94 118.76 10.37 Favored Pre-proline 0 C--N 1.275 -2.653 0 N-CA-C 105.836 -1.913 . . . . 0.0 105.836 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -66.36 -12.07 34.11 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 121.781 1.654 . . . . 0.0 111.091 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -98.25 137.37 37.09 Favored 'General case' 0 N--CA 1.419 -1.978 0 N-CA-C 107.285 -1.376 . . . . 0.0 107.285 175.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.49 174.8 6.48 Favored 'General case' 0 C--N 1.254 -3.578 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.33 -176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -88.24 166.38 34.98 Favored Glycine 0 N--CA 1.431 -1.645 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 171.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.23 -42.11 19.13 Favored 'Trans proline' 0 CA--C 1.495 -1.432 0 C-N-CA 123.359 2.706 . . . . 0.0 107.567 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 93.9 m -103.13 -33.96 9.03 Favored 'General case' 0 C--N 1.284 -2.253 0 CA-C-N 112.582 -2.099 . . . . 0.0 109.193 175.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 58.2 t30 76.43 69.44 0.07 Allowed 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.755 1.622 . . . . 0.0 107.459 -174.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . 0.269 35.0 mmt180 -97.62 154.54 37.89 Favored Pre-proline 0 C--N 1.316 -0.876 0 CA-C-N 112.828 -1.987 . . . . 0.0 109.226 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -72.04 117.18 5.02 Favored 'Trans proline' 0 N--CA 1.446 -1.288 0 N-CA-C 106.777 -2.047 . . . . 0.0 106.777 164.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 28.3 ttt -94.66 117.16 29.69 Favored 'General case' 0 N--CA 1.412 -2.352 0 O-C-N 121.795 -0.566 . . . . 0.0 111.0 -169.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 60.5 tp -66.43 116.22 7.2 Favored 'General case' 0 N--CA 1.425 -1.717 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.519 HD11 ' OG ' ' D' 1639 ' ' SER . 61.5 mt -67.76 -60.66 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.486 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 175.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 10.1 t -171.35 172.95 5.02 Favored 'General case' 0 N--CA 1.42 -1.944 0 CA-C-N 114.062 -1.427 . . . . 0.0 109.815 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 58.7 tp -100.78 157.05 17.0 Favored 'General case' 0 N--CA 1.433 -1.276 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.444 ' HB3' ' H ' ' D' 1635 ' ' THR . 28.1 t70 -128.33 93.55 3.68 Favored 'General case' 0 N--CA 1.397 -3.094 0 N-CA-C 104.788 -2.301 . . . . 0.0 104.788 176.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.67 -11.26 54.22 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.106 -176.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -75.99 -23.43 55.28 Favored 'General case' 0 N--CA 1.426 -1.637 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.301 -178.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.14 19.96 1.58 Allowed 'General case' 0 CA--C 1.473 -2.017 0 CA-C-O 122.148 0.975 . . . . 0.0 110.52 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' D' 1606 ' ' TYR . 27.3 m 47.61 66.84 0.92 Allowed 'General case' 0 N--CA 1.404 -2.746 0 CA-C-N 112.163 -2.289 . . . . 0.0 113.725 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.444 ' H ' ' HB3' ' D' 1630 ' ' ASP . 3.3 m -123.11 141.08 52.36 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.333 176.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -112.25 114.53 27.37 Favored 'General case' 0 C--N 1.287 -2.133 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 172.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.424 ' HB3' HD12 ' D' 1627 ' ' ILE . 63.6 m-85 -92.77 110.73 22.18 Favored 'General case' 0 N--CA 1.411 -2.409 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.0 -175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.492 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.0 m-85 -109.77 147.25 33.57 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -142.6 116.12 9.11 Favored 'General case' 0 C--N 1.266 -3.055 0 CA-C-O 121.126 0.489 . . . . 0.0 109.906 171.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.409 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -99.97 104.14 15.74 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -177.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . 0.473 ' HB2' ' CB ' ' D' 1615 ' ' ARG . 16.4 p-80 -83.78 105.05 14.38 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.897 0.856 . . . . 0.0 108.773 177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.485 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.6 t -138.41 144.97 44.92 Favored Pre-proline 0 N--CA 1.386 -3.672 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.28 -173.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' D' 1642 ' ' THR . 31.1 Cg_exo -68.36 -9.67 26.65 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 123.686 2.924 . . . . 0.0 110.688 173.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.5 mt -63.88 -37.37 87.16 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.763 177.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.594 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -98.85 19.84 14.21 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -176.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' D' 1647 ' ' GLU . 48.7 t -116.61 160.95 19.93 Favored 'General case' 0 N--CA 1.38 -3.928 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 -171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' D' 1646 ' ' CYS . 8.6 tp10 166.52 -37.68 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.8 0 O-C-N 126.679 2.487 . . . . 0.0 105.17 -171.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -83.31 -54.09 5.26 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 113.103 -1.862 . . . . 0.0 111.843 -178.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.85 -11.8 56.89 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.609 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 17.7 m -63.58 -20.5 65.7 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.227 1.013 . . . . 0.0 108.904 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.416 ' HG2' ' OE2' ' D' 1652 ' ' GLU . 60.1 tttm -89.73 -48.61 7.15 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 113.954 -1.475 . . . . 0.0 110.738 -176.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . 0.416 ' OE2' ' HG2' ' D' 1651 ' ' LYS . 44.2 mm-40 -110.07 88.56 2.79 Favored 'General case' 0 C--N 1.283 -2.305 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.994 -176.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.255 -3.52 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.45 -0.453 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -111.08 -3.77 15.34 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' D' 1517 ' ' GLN . 2.2 mp0 -88.82 -170.94 3.11 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 112.98 -1.918 . . . . 0.0 110.265 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.541 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 41.7 t-80 -131.97 -78.27 0.51 Allowed 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.526 0.679 . . . . 0.0 109.548 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -100.16 15.08 28.61 Favored 'General case' 0 C--N 1.282 -2.329 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' D' 1512 ' ' GLU . 77.6 m-20 73.44 162.3 0.26 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 127.689 2.396 . . . . 0.0 111.216 -173.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.517 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 10.9 m 62.56 16.87 9.14 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.626 1.17 . . . . 0.0 110.146 -178.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.541 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 97.5 mt-30 -134.72 144.87 48.0 Favored 'General case' 0 N--CA 1.42 -1.938 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -174.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.407 ' HB ' ' HG ' ' D' 1581 ' ' LEU . 4.4 p -147.08 158.89 9.58 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.356 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 174.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.13 152.74 46.92 Favored 'General case' 0 C--N 1.296 -1.717 0 CA-C-O 121.373 0.606 . . . . 0.0 112.437 -178.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.573 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 14.6 m120 -57.76 140.21 81.33 Favored Pre-proline 0 C--N 1.311 -1.097 0 CA-C-N 114.169 -1.378 . . . . 0.0 107.539 170.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -92.75 -4.97 3.29 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 N-CA-C 107.452 -1.788 . . . . 0.0 107.452 177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 12.0 m -113.2 -9.44 13.47 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.479 -2.146 . . . . 0.0 112.096 -176.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.5 m -130.17 -38.39 1.41 Allowed 'General case' 0 N--CA 1.43 -1.428 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 -178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . 0.42 ' H ' ' HB2' ' D' 1520 ' ' ASN . . . 79.51 30.7 43.81 Favored Glycine 0 N--CA 1.398 -3.843 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.573 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 43.9 t-80 -100.13 120.6 40.11 Favored 'General case' 0 C--N 1.304 -1.391 0 CA-C-N 114.1 -1.05 . . . . 0.0 108.168 178.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.494 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -82.78 134.55 35.12 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.472 -176.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -113.84 146.8 39.46 Favored 'General case' 0 CA--C 1.485 -1.542 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 177.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.5 p30 -135.42 139.54 44.23 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 120.17 -0.612 . . . . 0.0 109.423 178.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.515 HD13 ' CZ ' ' D' 1612 ' ' PHE . 17.2 mt -110.95 14.23 22.05 Favored 'General case' 0 C--N 1.281 -2.388 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 173.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.563 ' HA ' ' OG ' ' D' 1533 ' ' SER . 31.6 m -72.24 -19.94 61.63 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.614 0.721 . . . . 0.0 110.25 179.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 3.3 p -76.6 -8.69 57.72 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.034 173.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.412 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.6 mt -104.92 -17.76 14.43 Favored 'General case' 0 N--CA 1.44 -0.969 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.708 175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.563 ' OG ' ' HA ' ' D' 1530 ' ' SER . 51.1 m -60.59 169.71 1.68 Allowed 'General case' 0 C--O 1.247 0.972 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -175.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.27 163.55 11.73 Favored Glycine 0 CA--C 1.488 -1.655 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.586 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' D' 1555 ' ' GLU . 72.1 mtp180 -80.71 -15.26 56.95 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.959 0.379 . . . . 0.0 111.555 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.92 79.35 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.17 -165.47 34.94 Favored Glycine 0 N--CA 1.435 -1.428 0 CA-C-N 114.273 -1.33 . . . . 0.0 113.871 174.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -125.09 -175.79 3.39 Favored 'General case' 0 CA--C 1.484 -1.589 0 C-N-CA 120.016 -0.673 . . . . 0.0 110.549 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 6.8 p -129.47 156.91 43.36 Favored 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -175.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.04 146.2 35.22 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 105.185 -2.154 . . . . 0.0 105.185 174.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.95 132.21 33.87 Favored 'General case' 0 C--N 1.287 -2.123 0 C-N-CA 119.438 -0.905 . . . . 0.0 111.923 -175.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.3 t80 -121.08 94.58 4.39 Favored 'General case' 0 C--O 1.254 1.333 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 177.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 50.9 m 51.51 -149.42 0.33 Allowed 'General case' 0 C--N 1.302 -1.484 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.708 -174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.47 4.62 28.51 Favored 'General case' 0 C--N 1.292 -1.899 0 CA-C-O 122.951 1.358 . . . . 0.0 107.37 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . 0.552 ' HA ' ' HE3' ' D' 1545 ' ' LYS . 0.0 OUTLIER -77.09 -31.01 55.66 Favored 'General case' 0 CA--C 1.469 -2.153 0 CA-C-N 112.836 -1.984 . . . . 0.0 106.142 -178.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 167.56 -151.64 19.36 Favored Glycine 1 N--CA 1.393 -4.187 0 CA-C-N 113.46 -1.7 . . . . 0.0 114.322 177.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.02 169.26 18.1 Favored 'General case' 0 C--N 1.256 -3.47 0 CA-C-N 112.934 -1.633 . . . . 0.0 110.789 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 31.2 t -98.92 148.38 6.19 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.686 0 N-CA-C 106.973 -1.491 . . . . 0.0 106.973 175.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -121.74 114.2 20.77 Favored 'General case' 0 CA--C 1.446 -3.028 0 N-CA-C 104.351 -2.462 . . . . 0.0 104.351 177.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.4 ptm -147.72 122.38 9.86 Favored 'General case' 0 C--N 1.262 -3.206 0 C-N-CA 118.405 -1.318 . . . . 0.0 111.953 -171.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.458 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.5 p -92.95 144.8 24.9 Favored 'General case' 1 C--N 1.24 -4.178 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.78 -178.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.581 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 51.6 mm -85.59 120.6 36.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.716 -176.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.588 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.265 3.8 p 52.99 25.88 4.34 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 115.057 1.503 . . . . 0.0 115.057 177.208 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -158.67 174.63 35.76 Favored Glycine 0 CA--C 1.488 -1.639 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.529 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.49 154.35 27.63 Favored 'General case' 0 CA--C 1.478 -1.806 0 CA-C-N 118.233 1.017 . . . . 0.0 110.649 179.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.551 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 13.9 t-20 -100.4 149.03 24.07 Favored 'General case' 0 C--N 1.276 -2.601 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.91 -176.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.41 ' HA ' ' NH2' ' D' 1535 ' ' ARG . 1.0 OUTLIER -78.84 -18.1 54.56 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-O 121.512 0.673 . . . . 0.0 111.288 -172.154 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -93.6 -4.0 51.6 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -177.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 91.7 m -106.58 157.05 36.01 Favored Pre-proline 0 N--CA 1.406 -2.649 0 CA-C-N 112.431 -2.168 . . . . 0.0 108.048 178.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.6 Cg_exo -73.53 154.6 50.21 Favored 'Trans proline' 0 N--CA 1.449 -1.137 0 C-N-CA 121.709 1.606 . . . . 0.0 108.113 174.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -51.51 108.24 0.23 Allowed 'Trans proline' 0 C--O 1.252 1.177 0 C-N-CA 122.781 2.321 . . . . 0.0 112.758 -178.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 126.06 -25.53 5.49 Favored Glycine 0 N--CA 1.419 -2.492 0 CA-C-N 114.526 -1.216 . . . . 0.0 111.446 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 76.5 t -90.5 131.23 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.813 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -108.91 -6.07 30.5 Favored Glycine 0 N--CA 1.413 -2.833 0 C-N-CA 119.47 -1.348 . . . . 0.0 111.721 -173.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.61 129.2 9.22 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.675 -177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.567 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -149.9 179.46 8.03 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -102.66 139.52 38.14 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -61.46 -36.39 92.48 Favored Glycine 0 C--O 1.219 -0.825 0 O-C-N 123.921 0.763 . . . . 0.0 114.929 -176.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -93.3 -53.34 4.14 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 9.4 p -82.15 -28.64 32.04 Favored 'General case' 0 C--N 1.279 -2.482 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -173.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.48 30.89 6.57 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 122.373 1.083 . . . . 0.0 110.847 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 90.4 mt -85.84 102.84 11.99 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 172.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 18.0 m -58.5 126.41 27.47 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.941 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.3 m -110.45 15.44 8.21 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.995 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.182 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 162.39 152.7 6.85 Favored Glycine 0 CA--C 1.481 -2.038 0 C-N-CA 118.945 -1.598 . . . . 0.0 113.231 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.503 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.0 mttp -100.87 153.31 19.6 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 115.613 -0.294 . . . . 0.0 111.534 177.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -48.82 128.99 16.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 123.795 0.838 . . . . 0.0 111.504 175.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -147.86 136.32 21.59 Favored 'General case' 0 CA--C 1.466 -2.268 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 179.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.75 25.74 9.79 Favored 'General case' 0 C--N 1.279 -2.469 0 CA-C-O 122.591 1.186 . . . . 0.0 111.359 -174.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.461 ' HA ' ' OE2' ' D' 1512 ' ' GLU . 0.1 OUTLIER -91.02 81.13 5.65 Favored 'General case' 0 C--N 1.298 -1.633 0 CA-C-N 113.134 -1.848 . . . . 0.0 107.208 179.704 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.609 HD11 ' HB3' ' D' 1588 ' ' LEU . 29.5 tp -83.23 121.41 27.05 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 109.192 -0.669 . . . . 0.0 109.192 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.422 ' CZ ' ' HB3' ' D' 1580 ' ' ARG . 20.1 mmt180 -114.31 168.19 10.06 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 118.683 -1.207 . . . . 0.0 108.254 178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 20.8 t80 -117.71 114.25 23.06 Favored 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.624 ' O ' ' HB ' ' D' 1587 ' ' VAL . 10.5 m -139.14 106.61 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.632 0 CA-C-O 120.696 0.284 . . . . 0.0 110.69 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.0 t70 65.5 38.39 5.6 Favored 'General case' 0 N--CA 1.483 1.218 0 CA-C-O 121.763 0.792 . . . . 0.0 110.92 173.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 70.74 4.07 4.85 Favored 'General case' 0 N--CA 1.489 1.5 0 C-N-CA 124.354 1.062 . . . . 0.0 111.505 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.624 ' HB ' ' O ' ' D' 1584 ' ' VAL . 57.0 t -98.2 154.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 N-CA-C 106.056 -1.831 . . . . 0.0 106.056 173.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.609 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.2 mt -117.73 130.94 56.63 Favored 'General case' 0 C--N 1.26 -3.287 0 N-CA-C 103.948 -2.612 . . . . 0.0 103.948 173.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.613 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.2 tt0 -134.64 137.34 43.55 Favored 'General case' 0 C--N 1.285 -2.214 0 C-N-CA 116.396 -2.122 . . . . 0.0 113.966 -173.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 17.8 mt -112.42 155.36 24.34 Favored 'General case' 0 CA--C 1.477 -1.829 0 CA-C-N 113.903 -1.499 . . . . 0.0 108.372 175.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1609 ' ' VAL . 79.1 t -140.35 118.37 10.27 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.709 0 N-CA-C 106.846 -1.538 . . . . 0.0 106.846 178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.581 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.0 m-30 -99.52 92.99 5.64 Favored 'General case' 0 N--CA 1.386 -3.662 0 N-CA-C 105.027 -2.212 . . . . 0.0 105.027 178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 19.0 pttp -99.45 -178.16 3.81 Favored 'General case' 0 C--N 1.289 -2.023 0 C-N-CA 119.765 -0.774 . . . . 0.0 110.541 -177.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 39.7 m-20 58.48 44.04 18.58 Favored 'General case' 0 CA--C 1.504 -0.796 0 O-C-N 125.186 1.554 . . . . 0.0 110.025 -179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.48 -153.51 0.35 Allowed Glycine 0 C--N 1.3 -1.434 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.547 175.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 43.7 t -72.78 143.74 84.89 Favored Pre-proline 0 C--N 1.278 -2.543 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -50.89 128.12 23.54 Favored 'Trans proline' 0 C--N 1.358 1.04 0 C-N-CA 122.2 1.933 . . . . 0.0 107.803 171.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.432 ' HA ' ' HD3' ' D' 1599 ' ' PRO . 47.0 t -85.82 140.82 35.46 Favored Pre-proline 0 C--N 1.285 -2.231 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -169.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 77.3 Cg_exo -62.13 -28.61 79.98 Favored 'Trans proline' 0 N--CA 1.475 0.389 0 C-N-CA 123.69 2.927 . . . . 0.0 113.099 172.611 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 18.0 m -73.19 -39.25 65.73 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.838 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.545 ' HB3' HD23 ' D' 1604 ' ' LEU . 36.4 ttpt -158.69 142.09 14.96 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 175.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 21.9 m -126.87 116.21 20.5 Favored 'General case' 0 C--N 1.276 -2.614 0 CA-C-O 122.489 1.138 . . . . 0.0 108.386 -162.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 126.13 -17.23 6.7 Favored Glycine 0 C--N 1.262 -3.57 0 N-CA-C 104.621 -3.392 . . . . 0.0 104.621 -170.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.545 HD23 ' HB3' ' D' 1601 ' ' LYS . 51.1 tp -96.96 172.43 7.86 Favored 'General case' 0 N--CA 1.384 -3.735 0 CA-C-N 108.811 -3.695 . . . . 0.0 105.905 171.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 20.2 m -160.06 165.76 31.23 Favored 'General case' 0 C--N 1.265 -3.079 0 N-CA-C 107.609 -1.256 . . . . 0.0 107.609 -175.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -79.84 159.66 26.38 Favored 'General case' 0 C--N 1.288 -2.072 0 O-C-N 123.462 0.477 . . . . 0.0 110.788 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.617 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.33 155.14 42.41 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.201 170.472 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.547 ' HB2' ' H ' ' D' 1592 ' ' TYR . 37.0 m -100.55 155.08 18.05 Favored 'General case' 0 C--N 1.264 -3.112 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.955 172.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.48 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -133.5 103.69 5.75 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.91 0 N-CA-C 106.406 -1.701 . . . . 0.0 106.406 169.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -97.34 91.03 2.44 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.152 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.521 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -90.66 101.33 14.08 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.34 -0.944 . . . . 0.0 108.688 -179.155 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.515 ' CZ ' HD13 ' D' 1529 ' ' LEU . 80.9 m-85 -75.46 122.34 23.67 Favored 'General case' 0 CA--C 1.475 -1.925 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.9 t -112.6 128.24 69.38 Favored 'Isoleucine or valine' 0 C--N 1.244 -3.988 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.458 -173.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.585 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -68.62 95.01 0.62 Allowed 'General case' 0 C--N 1.287 -2.134 0 C-N-CA 124.615 1.166 . . . . 0.0 112.208 -179.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.533 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 68.0 ttt180 -145.34 119.08 5.46 Favored Pre-proline 0 C--N 1.304 -1.399 0 O-C-N 122.097 -0.377 . . . . 0.0 110.035 177.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . 0.405 ' HD3' ' CG2' ' D' 1650 ' ' THR . 81.2 Cg_endo -80.33 -8.9 13.92 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.798 2.332 . . . . 0.0 110.686 -178.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.533 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 32.2 mt-10 -82.44 5.79 19.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.015 -1.448 . . . . 0.0 111.891 -178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -54.67 177.25 0.03 OUTLIER 'General case' 0 C--N 1.252 -3.638 0 CA-C-N 112.689 -2.051 . . . . 0.0 111.723 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -106.31 -169.25 22.96 Favored Glycine 0 N--CA 1.42 -2.376 0 C-N-CA 119.306 -1.426 . . . . 0.0 113.306 -170.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -87.51 -18.34 2.59 Favored 'Trans proline' 0 C--N 1.303 -1.833 0 C-N-CA 123.267 2.645 . . . . 0.0 110.686 174.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . 0.534 HG22 ' HG3' ' D' 1623 ' ' ARG . 4.0 m -79.32 -63.16 1.48 Allowed 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 113.128 -1.851 . . . . 0.0 109.376 -179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 94.0 m-20 61.28 77.24 0.34 Allowed 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 125.014 1.325 . . . . 0.0 111.736 177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.534 ' HG3' HG22 ' D' 1621 ' ' THR . 27.0 mtm180 -117.45 158.22 45.5 Favored Pre-proline 0 C--N 1.277 -2.568 0 CA-C-N 113.109 -1.859 . . . . 0.0 110.761 176.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -66.89 114.39 3.14 Favored 'Trans proline' 0 N--CA 1.437 -1.814 0 N-CA-C 107.461 -1.784 . . . . 0.0 107.461 169.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 52.8 ttm -87.82 109.86 20.07 Favored 'General case' 0 C--N 1.28 -2.427 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.248 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.5 tp -65.08 110.41 2.5 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.827 178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.9 mt -65.2 -56.22 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.038 0 N-CA-C 108.023 -1.102 . . . . 0.0 108.023 177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 32.2 t -174.69 164.05 3.56 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.506 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . 0.469 HD23 ' H ' ' D' 1629 ' ' LEU . 2.6 pt? -104.64 159.11 16.02 Favored 'General case' 0 N--CA 1.43 -1.445 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -125.69 108.06 11.16 Favored 'General case' 0 N--CA 1.401 -2.898 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 60.5 mttm -74.86 -17.16 60.64 Favored 'General case' 0 C--N 1.291 -1.977 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.877 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -73.52 -36.42 65.71 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.781 -0.645 . . . . 0.0 112.365 -175.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 37.4 p -124.51 -1.67 8.02 Favored 'General case' 0 C--N 1.281 -2.381 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 33.8 m 63.83 45.32 4.45 Favored 'General case' 0 N--CA 1.406 -2.667 0 CA-C-N 113.178 -1.828 . . . . 0.0 112.255 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.617 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.4 m -110.5 126.64 54.58 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.72 -175.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.8 mp -101.13 110.9 22.98 Favored 'General case' 0 C--N 1.283 -2.32 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 174.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -89.64 114.07 25.63 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.155 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.475 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.0 m-85 -112.83 147.53 36.78 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.521 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.8 p -133.72 111.95 10.99 Favored 'General case' 0 C--N 1.266 -3.052 0 CA-C-O 121.939 0.876 . . . . 0.0 110.357 172.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.529 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.93 100.64 12.76 Favored 'General case' 0 N--CA 1.41 -2.463 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 43.8 m80 -81.03 110.41 16.54 Favored 'General case' 0 C--N 1.287 -2.122 0 N-CA-C 104.926 -2.25 . . . . 0.0 104.926 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.529 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.5 t -145.16 148.36 37.84 Favored Pre-proline 0 N--CA 1.394 -3.236 0 CA-C-O 121.146 0.498 . . . . 0.0 110.387 -171.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.615 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 21.8 Cg_exo -70.66 -9.05 24.99 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 123.951 3.101 . . . . 0.0 110.904 172.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.7 mt -63.37 -40.85 98.38 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.31 176.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.585 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.32 9.69 30.45 Favored 'General case' 0 C--N 1.309 -1.174 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -172.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.615 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 20.9 p -108.14 152.48 24.48 Favored 'General case' 0 CA--C 1.428 -3.742 0 C-N-CA 119.75 -0.78 . . . . 0.0 109.424 -175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -176.39 -44.81 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.763 0 O-C-N 125.079 1.487 . . . . 0.0 108.08 -168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -100.02 -67.0 0.87 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 115.829 1.788 . . . . 0.0 115.829 -173.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -66.36 -23.04 66.27 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . 0.405 ' CG2' ' HD3' ' D' 1616 ' ' PRO . 3.3 p -74.71 -7.99 55.0 Favored 'General case' 0 C--N 1.295 -1.765 0 CA-C-O 122.031 0.919 . . . . 0.0 111.44 -178.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -96.13 -14.66 22.65 Favored 'General case' 0 C--N 1.283 -2.321 0 CA-C-N 114.004 -1.453 . . . . 0.0 110.142 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -109.96 -87.71 0.51 Allowed 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.27 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.259 -3.356 0 CA-C-N 119.426 1.012 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 10.7 m . . . . . 0 N--CA 1.438 -1.026 0 N-CA-C 106.142 -1.799 . . . . 0.0 106.142 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 70.9 m-20 -106.07 79.54 1.42 Allowed 'General case' 0 C--O 1.187 -2.195 0 C-N-CA 119.236 -0.985 . . . . 0.0 109.444 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -129.09 -176.64 3.93 Favored 'General case' 0 C--N 1.256 -3.491 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.871 172.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -140.97 -87.88 0.17 Allowed 'General case' 0 C--O 1.211 -0.946 0 C-N-CA 116.554 -2.058 . . . . 0.0 112.792 -173.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . 0.478 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 4.4 m-20 -96.14 9.41 41.02 Favored 'General case' 0 C--N 1.291 -1.945 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 178.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.446 ' OD2' ' HD2' ' D' 1580 ' ' ARG . 5.4 m-20 70.86 162.13 0.24 Allowed 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 126.589 1.956 . . . . 0.0 109.151 -169.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.748 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.2 m 59.4 3.38 0.39 Allowed 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 126.938 2.095 . . . . 0.0 112.505 179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.542 ' HA ' ' O ' ' D' 1527 ' ' PHE . 42.7 mt-30 -140.78 134.4 30.15 Favored 'General case' 0 N--CA 1.418 -2.05 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -172.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.546 HG21 ' N ' ' D' 1583 ' ' TYR . 4.9 p -140.51 148.05 22.54 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-O 121.148 0.499 . . . . 0.0 111.124 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.558 HG23 HD23 ' D' 1526 ' ' LEU . 0.8 OUTLIER -105.2 133.55 49.77 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 114.549 1.314 . . . . 0.0 114.549 -174.438 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.432 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 17.2 m120 -67.43 132.7 93.04 Favored Pre-proline 0 C--O 1.215 -0.731 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 167.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.439 ' CD ' ' H ' ' D' 1522 ' ' SER . 25.4 Cg_endo -92.72 -9.35 2.28 Favored 'Trans proline' 0 C--N 1.315 -1.2 0 N-CA-C 107.561 -1.746 . . . . 0.0 107.561 174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.439 ' H ' ' CD ' ' D' 1521 ' ' PRO . 34.9 t -106.38 -2.18 22.46 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-N 112.126 -2.307 . . . . 0.0 110.402 -175.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 27.9 m -138.59 -33.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.426 0.631 . . . . 0.0 109.841 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 82.09 20.49 62.82 Favored Glycine 0 N--CA 1.424 -2.101 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.976 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.412 ' H ' ' HB2' ' D' 1520 ' ' ASN . 70.5 t60 -99.54 133.42 43.89 Favored 'General case' 0 C--N 1.305 -1.364 0 CA-C-N 114.461 -0.869 . . . . 0.0 109.457 -177.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.558 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -91.77 125.78 36.62 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.542 ' O ' ' HA ' ' D' 1517 ' ' GLN . 79.3 m-85 -95.91 130.61 42.83 Favored 'General case' 0 CA--C 1.461 -2.478 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 175.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -127.03 112.51 15.31 Favored 'General case' 1 C--N 1.243 -4.058 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 176.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.4 ' HB3' HD12 ' D' 1532 ' ' LEU . 62.7 mt -102.69 24.84 9.95 Favored 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.839 -1.073 . . . . 0.0 108.934 -177.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.542 ' HA ' ' OG ' ' D' 1533 ' ' SER . 3.9 m -72.52 -12.22 60.98 Favored 'General case' 0 N--CA 1.431 -1.4 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.839 176.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 4.1 p -80.8 -10.7 59.7 Favored 'General case' 0 N--CA 1.425 -1.694 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.021 174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.4 HD12 ' HB3' ' D' 1529 ' ' LEU . 86.3 mt -101.56 -18.7 15.81 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 174.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.542 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.5 m -66.5 170.35 6.3 Favored 'General case' 0 C--O 1.246 0.869 0 CA-C-N 115.128 -0.942 . . . . 0.0 112.269 177.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 129.15 175.85 14.21 Favored Glycine 0 N--CA 1.429 -1.822 0 N-CA-C 110.437 -1.065 . . . . 0.0 110.437 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.442 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 31.6 mmm-85 -83.08 -25.17 32.29 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 117.098 0.449 . . . . 0.0 111.039 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.35 -44.6 64.74 Favored 'General case' 0 C--N 1.299 -1.595 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.83 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.92 -157.46 46.0 Favored Glycine 0 CA--C 1.492 -1.355 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.167 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -125.15 -178.84 4.33 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 119.002 -1.079 . . . . 0.0 110.59 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.6 p -127.82 151.94 48.41 Favored 'General case' 0 C--N 1.264 -3.121 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.541 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.33 150.58 47.84 Favored 'General case' 0 C--N 1.277 -2.546 0 N-CA-C 105.269 -2.123 . . . . 0.0 105.269 175.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -92.56 131.62 37.53 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.046 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 93.8 t80 -106.22 95.32 5.69 Favored 'General case' 0 N--CA 1.421 -1.881 0 N-CA-C 107.153 -1.425 . . . . 0.0 107.153 174.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.1 m 54.9 -135.86 1.36 Allowed 'General case' 0 C--N 1.281 -2.384 0 CA-C-N 113.889 -1.505 . . . . 0.0 109.921 -176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -107.68 -7.38 16.43 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.619 0.723 . . . . 0.0 109.181 -175.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -108.92 -23.02 11.92 Favored 'General case' 0 CA--C 1.474 -1.975 0 CA-C-N 115.134 -0.939 . . . . 0.0 111.415 -165.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.63 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -142.12 164.18 26.91 Favored Glycine 0 C--N 1.267 -3.279 0 C-N-CA 119.301 -1.428 . . . . 0.0 114.256 -176.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.2 156.33 48.84 Favored 'General case' 0 C--N 1.268 -2.958 0 CA-C-N 114.161 -1.02 . . . . 0.0 109.782 170.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.3 t -102.85 149.27 7.21 Favored 'Isoleucine or valine' 0 C--N 1.267 -2.981 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -178.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -126.46 113.98 17.55 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.174 -2.528 . . . . 0.0 104.174 177.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . 0.46 ' HE2' ' HG3' ' D' 1624 ' ' PRO . 19.2 ptt? -150.9 133.27 15.48 Favored 'General case' 0 N--CA 1.397 -3.096 0 C-N-CA 117.847 -1.541 . . . . 0.0 112.419 -176.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.426 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 2.9 p -94.22 143.03 26.74 Favored 'General case' 1 C--N 1.229 -4.655 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.2 -178.533 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.587 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 48.2 mm -82.33 120.82 34.52 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.38 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.539 ' SG ' HG22 ' D' 1552 ' ' ILE 0.292 2.0 p 55.18 19.51 2.92 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 115.211 1.56 . . . . 0.0 115.211 177.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.53 175.31 32.71 Favored Glycine 0 CA--C 1.494 -1.231 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.499 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.6 OUTLIER -80.87 153.44 27.63 Favored 'General case' 0 CA--C 1.489 -1.377 0 CA-C-N 117.833 0.816 . . . . 0.0 112.237 178.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.52 ' O ' ' HB2' ' D' 1559 ' ' CYS . 14.0 t-20 -105.62 151.26 24.59 Favored 'General case' 0 C--N 1.284 -2.28 0 CA-C-N 114.148 -1.387 . . . . 0.0 110.575 -174.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.442 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 30.4 tt0 -81.73 -9.91 59.51 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 121.765 0.793 . . . . 0.0 112.298 -172.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.3 t30 -95.33 -4.96 44.52 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 123.407 1.575 . . . . 0.0 107.117 176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.634 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 74.0 m -108.41 157.54 36.21 Favored Pre-proline 0 N--CA 1.395 -3.211 0 CA-C-N 112.46 -2.155 . . . . 0.0 107.834 -178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.498 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.2 Cg_exo -74.93 158.56 42.38 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 121.852 1.702 . . . . 0.0 108.579 172.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -52.35 105.58 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 122.67 2.247 . . . . 0.0 112.01 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 127.51 -26.16 4.96 Favored Glycine 0 N--CA 1.436 -1.335 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.855 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.3 t -91.0 134.7 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.698 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.483 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -114.88 -3.11 22.01 Favored Glycine 0 N--CA 1.403 -3.544 0 C-N-CA 119.282 -1.437 . . . . 0.0 111.272 -172.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.71 128.36 8.63 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 115.815 -0.193 . . . . 0.0 111.091 -176.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.448 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.9 t -151.6 -178.52 6.75 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 108.423 -0.955 . . . . 0.0 108.423 178.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -101.83 145.55 29.03 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -67.5 -45.88 74.29 Favored Glycine 0 CA--C 1.484 -1.88 0 O-C-N 123.987 0.805 . . . . 0.0 112.768 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.63 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.2 mp0 -87.65 -52.21 5.45 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.553 0.692 . . . . 0.0 110.945 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.99 -30.16 63.58 Favored 'General case' 0 C--N 1.28 -2.426 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 -169.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 22.42 12.2 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 1.5 mp -90.27 118.54 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.545 0 N-CA-C 106.972 -1.492 . . . . 0.0 106.972 169.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 46.3 m -71.08 121.33 18.06 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-O 121.563 0.697 . . . . 0.0 109.449 -178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 24.2 m -102.39 17.58 4.28 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.035 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.862 -176.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 157.19 154.13 6.95 Favored Glycine 0 N--CA 1.417 -2.598 0 C-N-CA 119.097 -1.525 . . . . 0.0 113.029 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.483 ' HA ' ' H ' ' D' 1564 ' ' GLY . 98.0 mttt -107.0 152.39 24.04 Favored 'General case' 0 C--N 1.279 -2.473 0 CA-C-N 115.503 -0.348 . . . . 0.0 111.628 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.67 123.33 8.7 Favored 'General case' 0 C--O 1.246 0.894 0 C-N-CA 123.458 0.703 . . . . 0.0 112.105 177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -146.87 139.61 25.09 Favored 'General case' 0 CA--C 1.46 -2.513 0 N-CA-C 105.412 -2.07 . . . . 0.0 105.412 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.748 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 15.7 ptpt -123.73 27.54 7.27 Favored 'General case' 0 C--N 1.269 -2.916 0 CA-C-O 121.998 0.904 . . . . 0.0 112.159 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.446 ' HD2' ' OD2' ' D' 1515 ' ' ASP . 28.9 mmm180 -86.35 82.13 8.1 Favored 'General case' 0 C--N 1.269 -2.895 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.442 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 36.6 tp -82.28 112.45 19.28 Favored 'General case' 0 CA--C 1.501 -0.937 0 N-CA-C 107.864 -1.162 . . . . 0.0 107.864 177.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.503 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -129.52 148.56 51.44 Favored 'General case' 0 CA--C 1.482 -1.648 0 C-N-CA 119.415 -0.914 . . . . 0.0 112.935 179.005 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.546 ' N ' HG21 ' D' 1518 ' ' VAL . 1.5 t80 -88.97 111.57 22.3 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-N 113.606 -1.634 . . . . 0.0 106.772 -176.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -136.88 105.74 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.376 0 C-N-CA 123.526 0.73 . . . . 0.0 109.41 -173.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 32.3 t70 59.52 48.11 10.09 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 122.557 1.17 . . . . 0.0 110.891 177.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 71.16 -4.05 1.9 Allowed 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 114.208 -1.36 . . . . 0.0 111.846 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.55 ' HB ' ' O ' ' D' 1584 ' ' VAL . 77.8 t -97.89 159.42 3.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 N-CA-C 107.479 -1.304 . . . . 0.0 107.479 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' D' 1582 ' ' ARG . 4.8 mt -120.21 121.93 39.81 Favored 'General case' 0 C--N 1.275 -2.637 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 171.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.621 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -128.46 136.85 51.4 Favored 'General case' 0 C--N 1.276 -2.629 0 C-N-CA 117.504 -1.679 . . . . 0.0 113.926 -171.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.4 mt -114.14 159.13 20.41 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-N 114.133 -1.394 . . . . 0.0 107.85 177.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 73.2 t -142.5 117.11 4.68 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 179.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.597 ' HB2' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -99.0 94.0 6.31 Favored 'General case' 0 N--CA 1.391 -3.411 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.503 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 17.5 pttp -100.57 -177.4 3.48 Favored 'General case' 0 C--N 1.283 -2.309 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.596 -178.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.4 33.43 13.79 Favored 'General case' 0 CA--C 1.507 -0.681 0 O-C-N 124.812 1.32 . . . . 0.0 111.855 177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.39 -151.48 0.03 OUTLIER Glycine 0 CA--C 1.546 2.01 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.697 175.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.6 m -72.8 147.84 89.24 Favored Pre-proline 0 C--N 1.287 -2.152 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 174.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.78 130.6 15.64 Favored 'Trans proline' 0 C--N 1.36 1.173 0 C-N-CA 123.295 2.663 . . . . 0.0 112.535 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 44.6 t -98.8 115.66 65.68 Favored Pre-proline 0 N--CA 1.436 -1.17 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.43 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -58.08 -26.91 77.71 Favored 'Trans proline' 0 N--CA 1.487 1.124 0 C-N-CA 124.061 3.174 . . . . 0.0 113.593 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 48.8 m -70.12 -0.97 8.71 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.521 ' HG2' ' H ' ' D' 1602 ' ' SER . 73.1 tttt -160.25 -162.15 0.95 Allowed 'General case' 0 N--CA 1.441 -0.899 0 N-CA-C 105.938 -1.875 . . . . 0.0 105.938 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.521 ' H ' ' HG2' ' D' 1601 ' ' LYS . 20.4 m -141.12 108.8 5.62 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 119.167 0.894 . . . . 0.0 110.359 -176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 100.45 19.37 18.51 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 176.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.522 ' HG ' ' N ' ' D' 1605 ' ' SER . 22.2 tp -121.31 169.27 10.75 Favored 'General case' 0 N--CA 1.385 -3.722 0 CA-C-N 112.133 -2.033 . . . . 0.0 108.568 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.522 ' N ' ' HG ' ' D' 1604 ' ' LEU . 70.4 m -144.1 176.95 8.92 Favored 'General case' 0 C--N 1.268 -2.978 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 -176.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.629 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 89.9 m-85 -78.58 154.9 29.96 Favored 'General case' 0 CA--C 1.477 -1.837 0 C-N-CA 120.414 -0.514 . . . . 0.0 111.656 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 4.0 ptpp? -143.34 164.83 29.17 Favored 'General case' 0 N--CA 1.413 -2.323 0 C-N-CA 117.057 -1.857 . . . . 0.0 110.562 173.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 41.1 m -109.76 158.92 17.63 Favored 'General case' 0 C--N 1.255 -3.515 0 CA-C-N 113.353 -1.749 . . . . 0.0 111.07 175.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 2.1 t -134.95 108.86 10.75 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 N-CA-C 106.322 -1.733 . . . . 0.0 106.322 167.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.621 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.6 mp -102.07 91.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.623 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.541 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.1 m -90.34 101.46 14.19 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 119.054 -1.058 . . . . 0.0 108.613 -179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -76.41 121.56 23.23 Favored 'General case' 0 CA--C 1.476 -1.888 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 68.0 t -111.76 123.79 67.89 Favored 'Isoleucine or valine' 1 C--N 1.241 -4.121 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.219 -173.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.59 ' HB3' ' O ' ' D' 1645 ' ' ALA . 6.6 p -68.07 100.1 0.96 Allowed 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 113.867 -1.515 . . . . 0.0 109.408 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.499 ' HG3' ' H ' ' D' 1617 ' ' GLU . 24.8 tpt180 -128.38 132.56 24.42 Favored Pre-proline 0 C--N 1.268 -2.954 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 -177.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -71.64 -9.05 24.37 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.197 1.265 . . . . 0.0 110.184 175.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.499 ' H ' ' HG3' ' D' 1615 ' ' ARG . 17.3 mt-10 -95.04 144.97 25.29 Favored 'General case' 0 N--CA 1.428 -1.551 0 N-CA-C 106.547 -1.649 . . . . 0.0 106.547 175.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.66 167.92 10.84 Favored 'General case' 0 C--N 1.259 -3.368 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 175.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -78.02 170.1 54.79 Favored Glycine 0 N--CA 1.435 -1.427 0 C-N-CA 119.956 -1.116 . . . . 0.0 110.932 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -65.67 -37.19 29.64 Favored 'Trans proline' 0 CA--C 1.501 -1.152 0 C-N-CA 123.39 2.727 . . . . 0.0 108.657 175.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 82.5 m -119.09 -28.04 5.57 Favored 'General case' 0 C--N 1.284 -2.269 0 CA-C-N 112.751 -2.022 . . . . 0.0 110.695 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 54.1 m-80 79.92 60.97 0.02 OUTLIER 'General case' 0 CA--C 1.474 -1.966 0 CA-C-O 122.944 1.354 . . . . 0.0 109.718 -176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -113.94 156.98 43.17 Favored Pre-proline 0 C--N 1.277 -2.578 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.15 175.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.46 ' HG3' ' HE2' ' D' 1550 ' ' MET . 17.9 Cg_endo -67.21 114.69 3.31 Favored 'Trans proline' 0 N--CA 1.433 -2.057 0 C-N-CA 121.693 1.595 . . . . 0.0 108.067 167.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . 0.435 ' HB3' ' O ' ' D' 1639 ' ' SER . 23.6 ttt -79.18 106.18 11.04 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.452 -174.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.8 tp -61.68 110.79 1.6 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-N 115.41 -0.813 . . . . 0.0 109.625 178.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.474 HD12 ' HB3' ' D' 1637 ' ' PHE . 51.7 mt -66.09 -56.6 13.98 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 177.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 38.6 p -173.92 175.43 2.82 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.954 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 52.9 tp -103.03 141.29 36.07 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' D' 1632 ' ' GLN . 15.3 t70 -109.46 104.44 13.51 Favored 'General case' 0 N--CA 1.393 -3.316 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.55 5.76 46.47 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 119.103 -1.039 . . . . 0.0 109.346 174.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . 0.463 ' HB3' ' OD1' ' D' 1630 ' ' ASP . 6.5 tp60 -68.15 -34.01 75.54 Favored 'General case' 0 N--CA 1.436 -1.154 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . 0.448 ' O ' ' HB3' ' D' 1634 ' ' CYS . 65.1 p -136.16 -47.97 0.65 Allowed 'General case' 0 N--CA 1.417 -2.103 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.652 176.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.629 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 28.2 p 149.75 1.2 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.175 0 O-C-N 124.795 1.309 . . . . 0.0 114.157 -177.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 10.9 m -75.46 120.64 21.17 Favored 'General case' 0 C--N 1.245 -3.973 0 N-CA-C 114.065 1.135 . . . . 0.0 114.065 -164.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.6 mp -86.69 106.56 17.71 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 170.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.474 ' HB3' HD12 ' D' 1627 ' ' ILE . 36.0 m-85 -85.69 112.91 21.46 Favored 'General case' 0 C--N 1.283 -2.299 0 CA-C-N 115.056 -0.975 . . . . 0.0 110.19 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -112.9 148.21 35.43 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 -179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.532 ' HA ' ' O ' ' D' 1611 ' ' SER . 29.4 p -139.04 112.26 8.07 Favored 'General case' 0 C--N 1.277 -2.577 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.808 171.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -94.46 106.18 18.15 Favored 'General case' 0 C--N 1.282 -2.369 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -177.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 35.5 m80 -79.73 105.76 11.26 Favored 'General case' 0 C--N 1.309 -1.192 0 N-CA-C 105.711 -1.959 . . . . 0.0 105.711 176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.8 t -142.8 141.54 20.33 Favored Pre-proline 0 N--CA 1.398 -3.074 0 CA-C-O 121.471 0.653 . . . . 0.0 110.638 -176.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' D' 1642 ' ' THR . 36.5 Cg_exo -65.86 -12.06 33.59 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 123.741 2.961 . . . . 0.0 111.149 170.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 15.4 mt -62.36 -38.53 89.93 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-O 120.675 0.274 . . . . 0.0 111.534 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.59 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.45 13.09 24.95 Favored 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -177.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' D' 1647 ' ' GLU . 42.1 t -119.59 161.35 20.79 Favored 'General case' 0 N--CA 1.389 -3.493 0 N-CA-C 106.564 -1.643 . . . . 0.0 106.564 -173.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' D' 1651 ' ' LYS . 7.0 tp10 168.22 -30.67 0.0 OUTLIER 'General case' 0 C--N 1.264 -3.137 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 -172.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -60.05 -62.9 1.52 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 113.458 -1.701 . . . . 0.0 114.476 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -64.05 -37.39 87.28 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-O 121.636 0.732 . . . . 0.0 111.585 -177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.8 p -80.68 -7.35 59.29 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-O 122.112 0.958 . . . . 0.0 110.753 -177.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.534 ' HB2' ' O ' ' D' 1647 ' ' GLU . 7.2 ttpm? -76.12 -37.86 57.54 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 114.509 -1.223 . . . . 0.0 109.564 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -108.23 -108.01 0.33 Allowed 'General case' 0 C--N 1.283 -2.316 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.554 -176.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.252 -3.656 0 CA-C-N 120.158 1.345 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 20.4 m . . . . . 0 N--CA 1.429 -1.521 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . 0.483 HD21 ' HB2' ' D' 1582 ' ' ARG . 52.7 t30 -87.26 -72.39 0.52 Allowed 'General case' 0 C--N 1.306 -1.302 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 178.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' D' 1512 ' ' GLU . 5.5 pt-20 -87.79 -178.67 6.11 Favored 'General case' 0 C--N 1.263 -3.191 0 CA-C-N 113.389 -1.732 . . . . 0.0 108.782 176.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.452 ' HB3' ' H ' ' D' 1514 ' ' ASP . 7.5 t-80 -137.96 -96.77 0.19 Allowed 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 115.542 -2.463 . . . . 0.0 112.431 -173.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . 0.452 ' H ' ' HB3' ' D' 1513 ' ' HIS . 15.8 m-20 -104.63 19.7 19.94 Favored 'General case' 0 C--N 1.288 -2.09 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 174.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' D' 1579 ' ' LYS . 52.4 m-20 73.17 168.79 0.31 Allowed 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 127.509 2.323 . . . . 0.0 109.861 -172.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 12.5 p 52.24 7.55 0.06 Allowed 'General case' 0 N--CA 1.496 1.83 0 C-N-CA 128.077 2.551 . . . . 0.0 114.422 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 39.8 mt-30 -143.3 128.69 18.94 Favored 'General case' 0 N--CA 1.415 -2.223 0 N-CA-C 106.782 -1.562 . . . . 0.0 106.782 -174.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.628 HG21 ' N ' ' D' 1583 ' ' TYR . 3.6 p -134.25 166.18 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 -179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -129.34 134.09 47.73 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -172.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.442 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 18.7 m120 -62.32 137.14 95.95 Favored Pre-proline 0 CA--C 1.499 -1.004 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 167.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.434 ' CD ' ' H ' ' D' 1522 ' ' SER . 12.0 Cg_endo -89.97 -12.26 2.92 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 N-CA-C 106.839 -2.024 . . . . 0.0 106.839 171.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.434 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.7 m -73.89 -46.78 42.53 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 111.823 -2.444 . . . . 0.0 111.335 -175.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 67.4 p -122.09 -29.04 4.29 Favored 'General case' 0 C--N 1.29 -2.001 0 CA-C-N 114.764 -1.107 . . . . 0.0 109.275 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 91.93 22.21 31.17 Favored Glycine 0 N--CA 1.399 -3.824 0 CA-C-N 114.429 -1.259 . . . . 0.0 112.105 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.442 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 79.3 t60 -84.95 138.7 32.33 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.553 -0.323 . . . . 0.0 111.47 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.473 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.2 tm? -92.45 126.34 37.49 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.127 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 95.4 m-85 -103.98 143.27 33.1 Favored 'General case' 0 CA--C 1.477 -1.853 0 N-CA-C 107.411 -1.329 . . . . 0.0 107.411 176.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.97 136.23 45.96 Favored 'General case' 0 C--N 1.273 -2.727 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 176.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.552 ' HG ' HD22 ' D' 1581 ' ' LEU . 16.3 mt -110.03 13.04 23.45 Favored 'General case' 0 C--N 1.273 -2.736 0 C-N-CA 119.242 -0.983 . . . . 0.0 108.354 174.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.765 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.7 p -69.15 -12.98 62.15 Favored 'General case' 0 N--CA 1.428 -1.55 0 CA-C-O 121.375 0.607 . . . . 0.0 112.465 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 25.3 m -82.32 -8.36 59.63 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-O 121.966 0.888 . . . . 0.0 109.195 173.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 98.1 mt -105.39 -15.14 15.11 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.198 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.765 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.6 m -61.08 169.92 1.83 Allowed 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 -176.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.67 167.44 12.39 Favored Glycine 0 CA--C 1.48 -2.113 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.602 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 58.8 mtp180 -88.01 -11.47 47.25 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.196 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.43 -50.19 66.35 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 175.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.492 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -163.26 46.63 Favored Glycine 0 N--CA 1.427 -1.949 0 CA-C-N 114.33 -1.305 . . . . 0.0 113.492 174.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -128.28 178.74 6.04 Favored 'General case' 0 CA--C 1.469 -2.141 0 C-N-CA 119.528 -0.869 . . . . 0.0 109.874 179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 12.8 p -122.92 151.09 42.11 Favored 'General case' 0 C--N 1.252 -3.662 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.57 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -134.42 148.35 50.62 Favored 'General case' 0 C--N 1.278 -2.509 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -87.53 131.11 34.49 Favored 'General case' 0 C--N 1.28 -2.415 0 C-N-CA 119.816 -0.754 . . . . 0.0 111.036 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 18.1 t80 -110.1 96.43 6.22 Favored 'General case' 0 N--CA 1.431 -1.404 0 N-CA-C 105.664 -1.976 . . . . 0.0 105.664 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . 0.481 ' HB3' ' HG2' ' D' 1545 ' ' LYS . 42.3 t 58.21 -152.97 0.39 Allowed 'General case' 0 N--CA 1.424 -1.756 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -172.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.63 4.28 25.7 Favored 'General case' 0 C--N 1.267 -2.986 0 N-CA-C 106.644 -1.614 . . . . 0.0 106.644 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . 0.481 ' HG2' ' HB3' ' D' 1543 ' ' SER . 0.1 OUTLIER -102.96 -26.09 13.22 Favored 'General case' 0 CA--C 1.473 -1.998 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.184 -168.534 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.401 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -153.64 -177.26 26.94 Favored Glycine 0 N--CA 1.429 -1.778 0 C-N-CA 118.763 -1.684 . . . . 0.0 114.957 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 88.5 mt -135.47 158.09 45.24 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.382 -0.909 . . . . 0.0 109.892 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 33.9 t -107.33 148.48 11.55 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.054 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 175.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -122.48 114.67 21.02 Favored 'General case' 0 CA--C 1.467 -2.245 0 N-CA-C 104.674 -2.343 . . . . 0.0 104.674 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.2 ptm -151.57 122.28 7.48 Favored 'General case' 0 C--N 1.281 -2.397 0 C-N-CA 118.617 -1.233 . . . . 0.0 112.951 -169.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.492 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.3 p -93.46 146.1 24.01 Favored 'General case' 1 C--N 1.242 -4.082 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.527 -179.401 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.594 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.7 mm -84.26 120.08 34.43 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.242 -176.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.287 8.5 p 56.23 16.08 2.17 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.08 1.752 . . . . 0.0 114.94 178.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -149.03 174.37 28.66 Favored Glycine 0 CA--C 1.473 -2.534 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.463 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.7 OUTLIER -81.22 143.71 32.12 Favored 'General case' 0 CA--C 1.467 -2.225 0 CA-C-O 121.382 0.611 . . . . 0.0 111.422 178.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.3 t-20 -90.93 145.46 24.71 Favored 'General case' 0 C--N 1.265 -3.085 0 CA-C-N 114.512 -1.222 . . . . 0.0 108.6 -175.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.602 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 26.3 tt0 -87.31 -4.02 59.05 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.553 0.692 . . . . 0.0 112.694 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -94.44 -12.72 27.21 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 105.875 -1.898 . . . . 0.0 105.875 176.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 89.4 m -96.44 161.4 26.97 Favored Pre-proline 0 N--CA 1.407 -2.591 0 CA-C-N 112.003 -2.362 . . . . 0.0 107.584 174.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.1 Cg_exo -73.98 164.65 33.97 Favored 'Trans proline' 0 C--O 1.255 1.372 0 C-N-CA 121.988 1.792 . . . . 0.0 108.959 175.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -56.76 105.67 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.269 1.979 . . . . 0.0 111.658 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 128.62 -27.41 4.41 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.582 -0.736 . . . . 0.0 112.536 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.3 t -90.16 132.74 34.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.523 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.463 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.34 -10.44 25.62 Favored Glycine 0 N--CA 1.41 -3.034 0 C-N-CA 119.607 -1.282 . . . . 0.0 111.54 -172.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 130.04 9.8 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.617 -0.291 . . . . 0.0 110.415 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.501 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -148.26 176.88 9.89 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.469 ' CZ ' HG11 ' D' 1574 ' ' VAL . 17.3 m-85 -102.7 143.64 32.09 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.61 -23.83 71.85 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.157 -1.021 . . . . 0.0 110.732 177.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.401 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.4 mt-30 -70.76 -59.83 2.59 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.647 0.737 . . . . 0.0 111.934 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 10.0 p -108.38 -19.08 13.58 Favored 'General case' 0 C--N 1.279 -2.461 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -170.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 67.09 29.63 7.8 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 123.167 1.461 . . . . 0.0 108.421 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.33 113.84 26.99 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.721 0 CA-C-N 113.408 -1.723 . . . . 0.0 106.814 171.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.2 m -65.27 130.88 44.93 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-O 121.467 0.651 . . . . 0.0 110.127 -177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.469 HG11 ' CZ ' ' D' 1567 ' ' PHE . 22.1 m -111.74 17.38 7.75 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.334 0 CA-C-O 122.018 0.913 . . . . 0.0 110.144 -179.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.18 150.61 5.81 Favored Glycine 0 N--CA 1.411 -3.025 0 CA-C-N 114.44 -1.255 . . . . 0.0 113.063 176.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.477 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 57.2 mtpt -104.5 153.52 21.05 Favored 'General case' 0 C--N 1.276 -2.617 0 CA-C-N 115.154 -0.523 . . . . 0.0 110.753 178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.71 128.39 20.53 Favored 'General case' 0 C--N 1.316 -0.881 0 C-N-CA 123.831 0.852 . . . . 0.0 112.933 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.53 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.7 m-80 -149.25 142.65 25.24 Favored 'General case' 0 CA--C 1.473 -2.0 0 N-CA-C 105.384 -2.08 . . . . 0.0 105.384 175.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.453 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -119.28 15.06 13.07 Favored 'General case' 0 C--N 1.288 -2.092 0 CA-C-O 121.442 0.639 . . . . 0.0 112.214 -175.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 66.0 mtp180 -75.75 82.3 2.71 Favored 'General case' 0 C--N 1.269 -2.9 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.89 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.58 HD11 ' HB3' ' D' 1588 ' ' LEU . 23.3 tp -75.67 123.85 26.25 Favored 'General case' 0 CA--C 1.493 -1.25 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 174.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.483 ' HB2' HD21 ' D' 1511 ' ' ASN . 0.1 OUTLIER -128.15 154.06 46.19 Favored 'General case' 0 N--CA 1.413 -2.279 0 C-N-CA 119.304 -0.958 . . . . 0.0 108.524 179.803 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.628 ' N ' HG21 ' D' 1518 ' ' VAL . 18.5 t80 -97.34 133.46 41.92 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 106.962 -1.495 . . . . 0.0 106.962 -176.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.616 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.7 p -147.85 94.79 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.409 -2.525 0 CA-C-O 120.917 0.389 . . . . 0.0 110.487 -177.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 26.8 t70 59.99 52.06 5.46 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-O 122.119 0.962 . . . . 0.0 110.719 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.9 mp0 71.96 2.65 4.39 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 115.025 -0.989 . . . . 0.0 112.035 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.616 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.7 t -104.23 157.04 5.6 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.697 0 N-CA-C 106.046 -1.835 . . . . 0.0 106.046 173.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.58 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.6 mt -121.97 132.32 54.47 Favored 'General case' 0 C--N 1.266 -3.027 0 N-CA-C 103.445 -2.798 . . . . 0.0 103.445 173.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.643 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.0 tt0 -135.66 137.27 41.67 Favored 'General case' 0 C--N 1.282 -2.345 0 C-N-CA 116.651 -2.019 . . . . 0.0 113.479 -173.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.491 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.5 mt -111.79 155.64 23.23 Favored 'General case' 0 CA--C 1.475 -1.911 0 CA-C-N 114.054 -1.43 . . . . 0.0 108.311 176.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.495 ' HA ' ' O ' ' D' 1608 ' ' SER . 70.6 t -139.65 122.62 17.62 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.766 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 178.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.594 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.4 m-30 -104.19 93.25 4.73 Favored 'General case' 0 N--CA 1.387 -3.578 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 178.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -96.0 177.58 5.7 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 -176.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 21.3 m-20 68.51 36.81 2.79 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 124.958 1.411 . . . . 0.0 110.582 177.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.2 -162.13 2.17 Favored Glycine 0 N--CA 1.433 -1.502 0 CA-C-N 114.462 -1.245 . . . . 0.0 110.561 175.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 49.5 m -70.23 152.46 95.66 Favored Pre-proline 0 C--N 1.274 -2.675 0 O-C-N 121.671 -0.899 . . . . 0.0 109.793 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -48.7 143.24 17.0 Favored 'Trans proline' 0 C--N 1.363 1.309 0 C-N-CA 123.417 2.745 . . . . 0.0 112.979 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 12.9 p -74.15 113.59 24.99 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.425 -177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -66.66 -39.84 14.69 Favored 'Trans proline' 0 CA--C 1.514 -0.522 0 C-N-CA 122.126 1.884 . . . . 0.0 110.568 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.8 m -69.58 -34.92 74.83 Favored 'General case' 0 C--N 1.29 -1.992 0 CA-C-N 113.8 -1.546 . . . . 0.0 112.744 -176.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 25.3 mtpp -128.83 -162.38 1.19 Allowed 'General case' 0 C--N 1.291 -1.942 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.254 -171.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 62.4 m -144.54 109.44 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 105.75 13.81 22.93 Favored Glycine 0 CA--C 1.473 -2.568 0 CA-C-O 123.065 1.369 . . . . 0.0 110.297 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' D' 1605 ' ' SER . 17.8 tp -121.03 -179.26 3.97 Favored 'General case' 0 N--CA 1.385 -3.688 0 CA-C-N 111.835 -2.182 . . . . 0.0 107.545 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.434 ' N ' ' HG ' ' D' 1604 ' ' LEU . 37.9 m -160.0 174.43 14.38 Favored 'General case' 0 C--N 1.274 -2.681 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 -176.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -81.19 146.98 30.23 Favored 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 119.185 -1.006 . . . . 0.0 109.83 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.591 ' HE3' ' OG1' ' D' 1635 ' ' THR . 0.9 OUTLIER -141.63 157.27 45.29 Favored 'General case' 0 C--N 1.278 -2.502 0 C-N-CA 119.059 -1.057 . . . . 0.0 110.016 170.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.55 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -99.51 152.21 20.27 Favored 'General case' 0 C--N 1.251 -3.707 0 CA-C-N 113.958 -1.474 . . . . 0.0 110.118 174.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.456 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.3 t -131.63 103.89 7.78 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.065 0 N-CA-C 106.313 -1.736 . . . . 0.0 106.313 169.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.643 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.31 90.96 2.27 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.107 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.555 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.02 103.85 16.51 Favored 'General case' 0 C--N 1.285 -2.234 0 C-N-CA 119.305 -0.958 . . . . 0.0 108.729 -179.316 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.51 ' CZ ' HD13 ' D' 1529 ' ' LEU . 77.8 m-85 -77.37 124.83 28.4 Favored 'General case' 0 CA--C 1.47 -2.107 0 N-CA-C 107.81 -1.182 . . . . 0.0 107.81 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 93.2 t -114.69 136.18 52.15 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.906 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.232 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.5 p -68.02 111.11 4.23 Favored 'General case' 0 C--N 1.297 -1.684 0 C-N-CA 124.226 1.011 . . . . 0.0 111.504 -179.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' D' 1617 ' ' GLU . 17.5 ttt180 -141.95 111.48 6.17 Favored Pre-proline 0 C--N 1.296 -1.73 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -61.39 -21.93 73.17 Favored 'Trans proline' 0 CA--C 1.512 -0.575 0 C-N-CA 122.071 1.847 . . . . 0.0 112.828 -178.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.541 ' O ' ' HG2' ' D' 1615 ' ' ARG . 0.9 OUTLIER -95.86 155.15 16.87 Favored 'General case' 0 C--N 1.295 -1.788 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.598 174.54 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.14 168.74 10.57 Favored 'General case' 0 C--N 1.262 -3.235 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.447 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -81.31 167.9 49.65 Favored Glycine 0 N--CA 1.427 -1.961 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -63.97 -34.6 58.81 Favored 'Trans proline' 0 CA--C 1.495 -1.461 0 C-N-CA 123.626 2.884 . . . . 0.0 108.79 177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 41.0 m -113.77 -34.9 5.33 Favored 'General case' 0 C--N 1.283 -2.29 0 CA-C-N 112.881 -1.963 . . . . 0.0 110.999 178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 66.1 t30 74.87 63.48 0.07 Allowed 'General case' 0 C--N 1.313 -0.99 0 C-N-CA 125.499 1.52 . . . . 0.0 108.007 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 52.1 mtm180 -115.36 160.55 33.91 Favored Pre-proline 0 C--O 1.247 0.943 0 CA-C-N 112.875 -1.966 . . . . 0.0 111.205 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -72.48 116.52 4.74 Favored 'Trans proline' 0 N--CA 1.439 -1.682 0 C-N-CA 121.857 1.705 . . . . 0.0 108.055 169.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 42.1 ttp -80.13 117.29 20.81 Favored 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -73.93 105.58 5.25 Favored 'General case' 0 C--N 1.29 -1.989 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.506 HD11 ' OG ' ' D' 1639 ' ' SER . 47.0 mt -61.93 -57.37 12.41 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.296 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 68.1 p -164.97 152.21 11.03 Favored 'General case' 0 C--N 1.292 -1.919 0 CA-C-N 114.325 -1.307 . . . . 0.0 112.455 -178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . 0.441 HD13 ' HG ' ' D' 1636 ' ' LEU . 43.6 tp -94.48 118.78 32.18 Favored 'General case' 0 N--CA 1.425 -1.678 0 N-CA-C 106.894 -1.521 . . . . 0.0 106.894 167.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -109.98 97.47 6.97 Favored 'General case' 0 C--N 1.275 -2.648 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -68.31 -18.35 64.49 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.86 0.362 . . . . 0.0 111.355 -177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -58.99 -24.46 62.75 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 124.438 1.095 . . . . 0.0 110.992 177.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.5 p -135.69 3.32 2.99 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 60.8 m 47.14 48.89 15.61 Favored 'General case' 0 N--CA 1.428 -1.558 0 CA-C-N 113.853 -1.521 . . . . 0.0 112.217 -171.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.591 ' OG1' ' HE3' ' D' 1607 ' ' LYS . 4.1 m -111.07 134.1 52.93 Favored 'General case' 0 C--N 1.272 -2.762 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.721 -176.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . 0.441 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.7 mp -100.6 103.52 14.82 Favored 'General case' 0 C--N 1.282 -2.346 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 170.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -84.18 111.03 18.98 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.066 -177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.497 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 98.6 m-85 -110.84 145.48 38.14 Favored 'General case' 0 C--N 1.286 -2.154 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.555 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.0 m -136.02 107.64 6.98 Favored 'General case' 0 C--N 1.258 -3.371 0 CA-C-O 121.798 0.808 . . . . 0.0 110.654 171.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.472 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -90.96 104.47 17.06 Favored 'General case' 0 N--CA 1.421 -1.914 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 -178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 27.2 m80 -84.8 108.97 17.75 Favored 'General case' 0 C--N 1.278 -2.519 0 N-CA-C 105.57 -2.011 . . . . 0.0 105.57 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.472 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 6.0 t -147.72 148.98 32.28 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-O 121.078 0.466 . . . . 0.0 110.34 -171.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.776 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 32.5 Cg_exo -64.25 -10.63 24.36 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 124.467 3.445 . . . . 0.0 111.966 173.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -41.17 97.62 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.57 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.85 11.38 29.58 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.776 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.3 p -114.81 151.94 32.99 Favored 'General case' 0 CA--C 1.434 -3.49 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 -177.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 16.6 tp10 174.0 -36.48 0.0 OUTLIER 'General case' 0 C--N 1.272 -2.771 0 O-C-N 125.205 1.566 . . . . 0.0 109.013 -168.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.6 mp0 -66.05 -66.43 0.55 Allowed 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 113.262 -1.79 . . . . 0.0 112.528 -171.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -93.04 -15.34 26.26 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-O 122.094 0.95 . . . . 0.0 109.597 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . 0.585 ' OG1' ' HB2' ' D' 1646 ' ' CYS . 3.4 m -66.28 -11.18 48.89 Favored 'General case' 0 C--N 1.31 -1.111 0 CA-C-N 114.206 -1.361 . . . . 0.0 109.715 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -14.45 61.73 Favored 'General case' 0 C--N 1.302 -1.473 0 CA-C-N 113.621 -1.627 . . . . 0.0 110.589 -178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -95.08 -67.25 0.86 Allowed 'General case' 0 N--CA 1.426 -1.674 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.116 0 CA-C-N 118.707 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . 0.489 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 16.8 m . . . . . 0 N--CA 1.437 -1.112 0 N-CA-C 108.868 -0.789 . . . . 0.0 108.868 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -112.71 -29.48 7.41 Favored 'General case' 0 C--N 1.307 -1.26 0 CA-C-O 122.512 1.149 . . . . 0.0 109.357 176.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' D' 1512 ' ' GLU . 0.7 OUTLIER -87.87 -179.61 6.28 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-N 113.071 -1.877 . . . . 0.0 109.288 178.204 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -125.74 -80.46 0.61 Allowed 'General case' 0 CA--C 1.482 -1.663 0 C-N-CA 119.178 -1.009 . . . . 0.0 112.082 -174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -100.14 4.49 44.52 Favored 'General case' 0 C--N 1.268 -2.946 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.417 ' O ' ' HG2' ' D' 1517 ' ' GLN . 2.1 m-20 72.45 161.71 0.25 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 112.477 -2.147 . . . . 0.0 109.934 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.57 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 69.53 -0.3 2.65 Favored 'General case' 0 C--N 1.312 -1.03 0 C-N-CA 126.661 1.984 . . . . 0.0 110.605 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' D' 1515 ' ' ASP . 13.9 pt20 -150.02 137.52 19.85 Favored 'General case' 0 N--CA 1.396 -3.138 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.82 -175.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 8.4 p -138.49 157.13 30.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.228 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.715 -174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.421 HG23 HD23 ' D' 1526 ' ' LEU . 7.3 p -114.52 141.25 47.96 Favored 'General case' 0 N--CA 1.397 -3.107 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.464 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -60.32 131.07 90.08 Favored Pre-proline 0 N--CA 1.441 -0.905 0 N-CA-C 106.355 -1.721 . . . . 0.0 106.355 165.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.442 ' CD ' ' H ' ' D' 1522 ' ' SER . 27.6 Cg_endo -88.99 -10.54 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 107.635 -1.717 . . . . 0.0 107.635 178.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.442 ' H ' ' CD ' ' D' 1521 ' ' PRO . 8.5 p -100.18 -20.58 15.88 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 111.938 -2.392 . . . . 0.0 112.666 -176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 26.3 m -125.25 -27.38 3.51 Favored 'General case' 0 C--N 1.287 -2.137 0 CA-C-O 122.046 0.927 . . . . 0.0 109.204 -175.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 77.08 24.38 66.56 Favored Glycine 0 N--CA 1.404 -3.439 0 CA-C-N 114.533 -1.212 . . . . 0.0 111.791 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.433 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.8 t-80 -101.17 131.79 46.97 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 114.953 -0.623 . . . . 0.0 109.778 -177.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.421 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -85.15 132.59 34.28 Favored 'General case' 0 C--N 1.306 -1.311 0 C-N-CA 122.826 0.45 . . . . 0.0 109.89 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 43.7 m-85 -110.69 134.36 52.53 Favored 'General case' 0 CA--C 1.465 -2.308 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.54 132.29 49.91 Favored 'General case' 0 C--N 1.262 -3.233 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 176.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.575 HD13 ' CZ ' ' D' 1612 ' ' PHE . 41.2 mt -112.01 22.86 14.4 Favored 'General case' 0 C--N 1.267 -2.979 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 175.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.665 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.9 m -75.39 -19.52 59.49 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.143 179.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.7 m -75.94 -11.28 59.93 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.405 -1.27 . . . . 0.0 109.127 174.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 97.6 mt -104.89 -16.75 14.78 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.217 176.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.665 ' OG ' ' HA ' ' D' 1530 ' ' SER . 19.0 m -68.71 173.05 5.53 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.578 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.03 -178.24 18.7 Favored Glycine 0 CA--C 1.494 -1.27 0 C-N-CA 118.677 -1.725 . . . . 0.0 112.792 -179.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.472 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 12.5 mmp_? -89.05 -23.3 22.6 Favored 'General case' 0 C--O 1.216 -0.685 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.17 -54.57 19.98 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.545 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 69.03 -163.61 50.61 Favored Glycine 0 N--CA 1.424 -2.122 0 CA-C-N 114.407 -1.27 . . . . 0.0 113.36 178.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -126.76 -174.83 3.24 Favored 'General case' 0 CA--C 1.484 -1.575 0 C-N-CA 119.971 -0.691 . . . . 0.0 110.136 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 29.5 p -130.32 153.32 48.79 Favored 'General case' 0 C--N 1.275 -2.673 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -133.2 147.09 52.01 Favored 'General case' 0 C--N 1.277 -2.552 0 N-CA-C 106.355 -1.72 . . . . 0.0 106.355 175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -85.7 116.89 24.25 Favored 'General case' 0 C--N 1.282 -2.327 0 C-N-CA 119.118 -1.033 . . . . 0.0 109.815 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 91.8 t80 -91.58 101.27 13.91 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.8 m 56.22 -138.82 0.98 Allowed 'General case' 0 N--CA 1.423 -1.82 0 CA-C-N 114.349 -1.296 . . . . 0.0 107.956 -176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -107.66 -7.31 16.47 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-O 121.473 0.654 . . . . 0.0 109.747 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -102.82 -34.06 9.14 Favored 'General case' 0 CA--C 1.463 -2.394 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.402 -166.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.499 ' HA2' HE21 ' D' 1569 ' ' GLN . . . -125.94 177.3 17.16 Favored Glycine 0 N--CA 1.405 -3.402 0 C-N-CA 118.356 -1.878 . . . . 0.0 115.693 -171.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.84 145.33 49.6 Favored 'General case' 0 C--N 1.272 -2.792 0 CA-C-N 112.782 -1.709 . . . . 0.0 108.009 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 41.3 t -100.41 145.91 10.13 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.539 ' HB3' HD21 ' D' 1556 ' ' ASN . 52.6 m-85 -122.42 114.21 20.42 Favored 'General case' 0 CA--C 1.465 -2.319 0 N-CA-C 105.272 -2.122 . . . . 0.0 105.272 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -152.09 129.09 11.04 Favored 'General case' 0 C--N 1.28 -2.437 0 C-N-CA 118.847 -1.141 . . . . 0.0 112.685 -168.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.545 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 8.6 p -92.72 167.8 11.64 Favored 'General case' 1 C--N 1.243 -4.044 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.225 179.499 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.601 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 46.9 mm -102.67 120.33 52.3 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.5 p 69.13 -28.72 0.16 Allowed 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 127.957 2.503 . . . . 0.0 113.436 175.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . 0.448 ' HA3' ' NH2' ' D' 1535 ' ' ARG . . . -111.96 -179.48 19.86 Favored Glycine 0 N--CA 1.418 -2.558 0 N-CA-C 110.696 -0.961 . . . . 0.0 110.696 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.401 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 1.0 OUTLIER -80.13 157.04 26.74 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-O 121.538 0.685 . . . . 0.0 110.927 178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.539 HD21 ' HB3' ' D' 1549 ' ' TYR . 27.4 t30 -103.2 144.6 31.11 Favored 'General case' 0 C--N 1.272 -2.788 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.69 -176.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.472 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 37.8 tt0 -78.67 -10.4 59.74 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-O 121.706 0.765 . . . . 0.0 111.506 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -87.17 -18.13 31.09 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -97.68 163.31 19.86 Favored Pre-proline 0 N--CA 1.405 -2.72 0 CA-C-N 112.901 -1.954 . . . . 0.0 108.419 -178.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.483 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 14.7 Cg_exo -73.24 156.82 50.83 Favored 'Trans proline' 0 C--O 1.249 1.039 0 C-N-CA 121.694 1.596 . . . . 0.0 108.171 173.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -54.37 105.02 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.379 2.053 . . . . 0.0 112.018 -178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.55 -23.78 4.75 Favored Glycine 0 N--CA 1.425 -2.048 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.28 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 65.7 t -93.6 133.61 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.442 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.07 -9.02 28.7 Favored Glycine 0 N--CA 1.413 -2.861 0 C-N-CA 119.613 -1.28 . . . . 0.0 111.157 -174.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.5 131.96 11.26 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 120.789 0.328 . . . . 0.0 110.722 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.498 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.0 t -149.02 173.8 12.98 Favored 'General case' 0 C--N 1.294 -1.834 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -101.77 145.61 28.91 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 120.611 0.243 . . . . 0.0 110.869 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -88.23 12.34 64.84 Favored Glycine 0 CA--C 1.496 -1.116 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 175.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.499 HE21 ' HA2' ' D' 1546 ' ' GLY . 64.8 mm-40 -100.03 -45.32 5.71 Favored 'General case' 0 C--N 1.295 -1.779 0 CA-C-N 114.301 -0.95 . . . . 0.0 111.051 178.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . 0.416 ' HB ' HD13 ' D' 1572 ' ' ILE . 21.1 p -128.37 -15.55 4.57 Favored 'General case' 0 C--N 1.284 -2.273 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 67.4 26.15 8.44 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 -174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.478 HG23 ' HB2' ' D' 1596 ' ' SER . 1.3 mp -90.69 122.98 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 CA-C-N 113.903 -1.499 . . . . 0.0 107.236 171.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 12.6 m -69.4 133.33 47.66 Favored 'General case' 0 N--CA 1.425 -1.693 0 C-N-CA 123.787 0.835 . . . . 0.0 110.99 -175.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.425 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 29.6 m -109.17 14.39 8.37 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 CA-C-O 121.666 0.746 . . . . 0.0 109.539 178.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.88 151.7 6.26 Favored Glycine 0 N--CA 1.416 -2.686 0 C-N-CA 119.853 -1.165 . . . . 0.0 113.416 177.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.466 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.5 mttt -105.17 150.06 25.39 Favored 'General case' 0 C--N 1.278 -2.502 0 CA-C-N 115.342 -0.429 . . . . 0.0 110.517 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.45 127.37 15.15 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 123.842 0.857 . . . . 0.0 112.971 177.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.4 m-80 -148.67 138.85 22.38 Favored 'General case' 0 CA--C 1.477 -1.836 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 176.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 7.2 ptpp? -121.23 18.68 11.52 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-O 122.085 0.945 . . . . 0.0 113.23 -168.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -80.93 81.5 7.17 Favored 'General case' 0 C--N 1.254 -3.546 0 CA-C-N 114.444 -1.253 . . . . 0.0 109.545 177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.456 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 40.5 tp -75.64 117.8 17.79 Favored 'General case' 0 N--CA 1.437 -1.103 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 176.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -133.64 144.68 49.38 Favored 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 118.646 -1.222 . . . . 0.0 112.21 -177.861 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.464 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 11.0 t80 -86.15 122.32 30.0 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 126.08 1.752 . . . . 0.0 108.195 -174.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.564 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -148.15 107.98 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.007 0 C-N-CA 122.804 0.442 . . . . 0.0 109.919 -176.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 27.3 t70 61.01 38.65 17.17 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-O 121.999 0.904 . . . . 0.0 110.607 175.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.608 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 56.1 mt-30 72.89 3.76 4.78 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.972 1.309 . . . . 0.0 111.785 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.564 ' HB ' ' O ' ' D' 1584 ' ' VAL . 70.9 t -100.13 156.64 4.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.882 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.423 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.4 mt -122.4 120.97 35.54 Favored 'General case' 0 C--N 1.266 -3.045 0 N-CA-C 103.735 -2.691 . . . . 0.0 103.735 172.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.647 ' HA ' ' O ' ' D' 1610 ' ' ILE . 9.2 tt0 -124.91 133.48 53.04 Favored 'General case' 0 C--N 1.273 -2.744 0 C-N-CA 117.405 -1.718 . . . . 0.0 113.703 -170.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.456 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 27.9 mt -108.56 153.49 23.3 Favored 'General case' 0 CA--C 1.48 -1.735 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.107 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.456 ' HA ' ' O ' ' D' 1608 ' ' SER . 73.5 t -138.71 115.57 10.93 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.782 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.601 ' HH ' ' HA ' ' D' 1552 ' ' ILE . 21.9 m-30 -99.36 94.01 6.22 Favored 'General case' 0 N--CA 1.382 -3.826 0 N-CA-C 105.034 -2.21 . . . . 0.0 105.034 178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.486 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 20.0 pttp -102.4 -177.36 3.38 Favored 'General case' 0 C--N 1.285 -2.233 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.323 -177.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 64.38 40.85 6.16 Favored 'General case' 0 CA--C 1.5 -0.943 0 O-C-N 125.082 1.489 . . . . 0.0 110.262 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.56 -146.97 0.04 OUTLIER Glycine 0 CA--C 1.533 1.207 0 CA-C-O 122.669 1.149 . . . . 0.0 112.495 174.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . 0.478 ' HB2' HG23 ' D' 1572 ' ' ILE . 67.1 m -86.43 146.48 42.1 Favored Pre-proline 0 C--N 1.264 -3.138 0 O-C-N 121.642 -0.917 . . . . 0.0 108.946 175.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . 0.612 ' HA ' ' O ' ' D' 1604 ' ' LEU . 96.7 Cg_exo -49.05 128.46 19.48 Favored 'Trans proline' 0 C--N 1.361 1.191 0 C-N-CA 123.478 2.786 . . . . 0.0 111.052 177.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.43 ' HA ' ' HD3' ' D' 1599 ' ' PRO . 42.5 t -96.37 129.75 32.62 Favored Pre-proline 0 N--CA 1.421 -1.919 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 -171.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 77.9 Cg_exo -57.68 -33.95 97.45 Favored 'Trans proline' 0 N--CA 1.478 0.561 0 C-N-CA 123.959 3.106 . . . . 0.0 114.751 179.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . 0.438 ' H ' ' HG ' ' D' 1600 ' ' SER . 11.8 p -78.91 0.3 27.89 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 115.008 1.484 . . . . 0.0 115.008 -173.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -151.53 -165.0 2.12 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 5.7 m -138.81 108.74 6.32 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 119.382 0.992 . . . . 0.0 111.41 -174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 96.68 15.62 39.42 Favored Glycine 0 CA--C 1.461 -3.324 0 N-CA-C 109.069 -1.612 . . . . 0.0 109.069 171.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.612 ' O ' ' HA ' ' D' 1597 ' ' PRO . 51.2 tp -112.61 178.19 4.38 Favored 'General case' 1 N--CA 1.369 -4.518 0 CA-C-N 111.953 -2.124 . . . . 0.0 108.232 -174.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.404 ' H ' HD12 ' D' 1604 ' ' LEU . 40.8 m -156.05 169.86 23.5 Favored 'General case' 0 C--N 1.254 -3.554 0 N-CA-C 107.396 -1.335 . . . . 0.0 107.396 -174.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 92.4 m-85 -84.01 152.03 24.66 Favored 'General case' 0 C--N 1.288 -2.077 0 O-C-N 123.581 0.55 . . . . 0.0 110.51 -178.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.602 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.46 160.45 40.12 Favored 'General case' 0 N--CA 1.422 -1.865 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.274 170.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.524 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 42.5 m -102.43 154.02 19.49 Favored 'General case' 0 C--N 1.261 -3.282 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.844 175.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.455 HG22 HG22 ' D' 1591 ' ' VAL . 6.8 t -132.3 100.18 3.95 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.652 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 169.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.647 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.8 mp -93.57 91.98 3.45 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -177.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.534 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -89.12 101.43 14.09 Favored 'General case' 0 C--N 1.28 -2.454 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 -178.768 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.575 ' CZ ' HD13 ' D' 1529 ' ' LEU . 93.3 m-85 -78.04 126.5 30.92 Favored 'General case' 0 CA--C 1.473 -1.984 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 176.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.4 t -115.23 130.87 69.05 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.904 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.088 -173.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.608 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 4.0 p -67.67 100.97 0.96 Allowed 'General case' 0 N--CA 1.424 -1.728 0 C-N-CA 124.899 1.279 . . . . 0.0 109.635 177.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 0.4 OUTLIER -136.61 101.12 9.89 Favored Pre-proline 0 C--N 1.29 -1.994 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 -178.438 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.6 -25.69 42.52 Favored 'Trans proline' 0 C--O 1.249 1.06 0 C-N-CA 122.856 2.371 . . . . 0.0 112.078 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.89 131.87 35.59 Favored 'General case' 0 C--N 1.288 -2.082 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.294 172.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.76 175.19 6.61 Favored 'General case' 0 C--N 1.27 -2.875 0 CA-C-N 114.596 -1.184 . . . . 0.0 112.319 -171.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -94.55 167.52 27.31 Favored Glycine 0 N--CA 1.42 -2.39 0 N-CA-C 110.156 -1.178 . . . . 0.0 110.156 176.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -68.28 -39.71 9.64 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 123.826 3.017 . . . . 0.0 110.346 177.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 39.3 m -105.9 -44.6 4.58 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 113.35 -1.75 . . . . 0.0 111.241 -177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 91.1 m-20 79.5 73.8 0.04 OUTLIER 'General case' 0 C--N 1.3 -1.544 0 C-N-CA 125.737 1.615 . . . . 0.0 109.931 -175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 45.8 mtt180 -122.84 157.54 59.73 Favored Pre-proline 0 C--N 1.294 -1.83 0 CA-C-N 113.768 -1.56 . . . . 0.0 111.285 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -65.43 114.47 2.89 Favored 'Trans proline' 0 N--CA 1.444 -1.432 0 C-N-CA 121.729 1.619 . . . . 0.0 108.256 170.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 95.4 mmm -85.74 111.8 20.47 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.652 -177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.77 110.2 3.18 Favored 'General case' 0 N--CA 1.424 -1.75 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 44.4 mt -65.98 -57.75 9.37 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 177.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 55.0 p -172.69 177.42 2.92 Favored 'General case' 0 C--N 1.289 -2.037 0 CA-C-N 113.87 -1.513 . . . . 0.0 108.722 -176.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -128.51 155.56 44.66 Favored 'General case' 0 N--CA 1.42 -1.94 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -108.66 105.44 15.05 Favored 'General case' 0 C--N 1.27 -2.86 0 N-CA-C 104.941 -2.244 . . . . 0.0 104.941 177.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -74.96 -17.91 60.47 Favored 'General case' 0 C--N 1.272 -2.79 0 CA-C-O 121.153 0.501 . . . . 0.0 110.335 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -85.56 -23.97 27.42 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 7.8 p -129.83 6.29 5.08 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.743 0.782 . . . . 0.0 109.274 -178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 7.8 m 59.24 46.74 12.48 Favored 'General case' 0 N--CA 1.411 -2.406 0 CA-C-N 113.124 -1.853 . . . . 0.0 113.299 171.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.602 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.9 m -109.23 130.57 55.49 Favored 'General case' 0 C--N 1.263 -3.179 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.801 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -104.19 111.63 24.31 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 174.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -90.76 112.43 24.21 Favored 'General case' 0 N--CA 1.419 -2.017 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.406 -175.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 99.2 m-85 -111.13 148.94 31.61 Favored 'General case' 0 C--N 1.284 -2.253 0 N-CA-C 108.709 -0.849 . . . . 0.0 108.709 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.534 ' HA ' ' O ' ' D' 1611 ' ' SER . 54.2 p -137.16 117.85 13.99 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 120.003 -0.679 . . . . 0.0 110.068 170.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.6 t90 -101.13 104.34 15.44 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -85.81 107.26 17.57 Favored 'General case' 0 C--N 1.29 -1.982 0 N-CA-C 104.927 -2.249 . . . . 0.0 104.927 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.4 t -140.22 146.69 47.03 Favored Pre-proline 0 N--CA 1.407 -2.625 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 -172.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.689 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 26.7 Cg_exo -69.2 -9.7 27.0 Favored 'Trans proline' 0 C--N 1.321 -0.898 0 C-N-CA 124.016 3.144 . . . . 0.0 110.881 174.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . 0.423 ' HB2' ' OG1' ' D' 1642 ' ' THR . 0.1 OUTLIER -67.83 -33.36 74.63 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.133 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.535 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.91 12.14 31.35 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.077 -0.511 . . . . 0.0 112.171 -174.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.689 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.0 p -124.31 163.13 22.32 Favored 'General case' 0 CA--C 1.441 -3.237 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 -177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.57 -32.55 0.01 OUTLIER 'General case' 0 C--N 1.272 -2.768 0 O-C-N 125.099 1.499 . . . . 0.0 108.459 -175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' D' 1651 ' ' LYS . 26.9 mt-30 -65.19 -50.9 64.13 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.692 -178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -88.55 -8.88 54.02 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-O 121.34 0.59 . . . . 0.0 110.99 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 68.7 m -64.73 -7.38 10.66 Favored 'General case' 0 C--N 1.305 -1.365 0 C-N-CA 124.166 0.986 . . . . 0.0 110.756 178.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.652 ' HG3' ' OE2' ' D' 1652 ' ' GLU . 22.5 pttp -77.01 -15.71 59.54 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.14 177.412 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . 0.652 ' OE2' ' HG3' ' D' 1651 ' ' LYS . 5.0 mp0 -105.62 82.01 1.75 Allowed 'General case' 0 C--O 1.252 1.194 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 171.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 121.192 -0.943 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.44 -0.948 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -104.6 -30.01 10.26 Favored 'General case' 0 CA--C 1.476 -1.903 0 CA-C-O 122.087 0.946 . . . . 0.0 110.16 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -156.92 -177.52 6.67 Favored 'General case' 0 C--N 1.255 -3.506 0 CA-C-N 112.785 -2.007 . . . . 0.0 108.546 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -144.25 -89.48 0.11 Allowed 'General case' 0 C--N 1.304 -1.384 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 175.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -103.4 24.31 11.19 Favored 'General case' 0 C--N 1.29 -2.02 0 N-CA-C 106.057 -1.831 . . . . 0.0 106.057 172.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 66.45 170.02 0.24 Allowed 'General case' 0 CA--C 1.506 -0.72 0 CA-C-N 112.943 -1.935 . . . . 0.0 109.431 -169.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 4.4 p 52.77 17.68 0.89 Allowed 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 125.52 1.528 . . . . 0.0 114.047 179.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.657 ' HA ' ' O ' ' D' 1527 ' ' PHE . 87.9 mt-30 -143.0 134.61 26.47 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.532 ' HB ' ' O ' ' D' 1581 ' ' LEU . 10.0 p -145.34 143.12 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 CA-C-O 121.34 0.591 . . . . 0.0 110.282 173.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.495 HG23 ' CD2' ' D' 1526 ' ' LEU . 0.6 OUTLIER -93.31 135.11 34.85 Favored 'General case' 0 N--CA 1.402 -2.83 0 N-CA-C 115.303 1.594 . . . . 0.0 115.303 -174.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.503 ' HA ' ' CE2' ' D' 1583 ' ' TYR 0.258 0.2 OUTLIER -60.74 128.49 88.74 Favored Pre-proline 0 C--O 1.21 -0.999 0 N-CA-C 102.146 -3.279 . . . . 0.0 102.146 161.207 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.466 ' HD2' HD22 ' D' 1520 ' ' ASN . 17.9 Cg_endo -84.17 -8.59 9.81 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.429 -1.796 . . . . 0.0 107.429 -178.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 1.5 m -84.44 -33.24 23.71 Favored 'General case' 0 C--N 1.284 -2.267 0 CA-C-N 111.565 -2.561 . . . . 0.0 111.528 -175.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 68.3 p -123.46 -30.4 3.66 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.8 0.809 . . . . 0.0 109.555 -177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 89.28 25.08 29.59 Favored Glycine 0 N--CA 1.408 -3.189 0 CA-C-N 114.396 -1.275 . . . . 0.0 111.167 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.417 ' O ' ' HA ' ' D' 1519 ' ' THR . 4.4 t60 -92.62 120.57 33.18 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 -179.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.529 HD22 ' HB3' ' D' 1517 ' ' GLN . 24.2 mt -76.2 122.42 24.32 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.657 ' O ' ' HA ' ' D' 1517 ' ' GLN . 72.9 m-85 -86.81 114.08 23.17 Favored 'General case' 0 C--N 1.265 -3.068 0 N-CA-C 107.106 -1.442 . . . . 0.0 107.106 172.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -111.58 114.79 28.09 Favored 'General case' 0 C--N 1.246 -3.932 0 CA-C-O 122.374 1.083 . . . . 0.0 109.686 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.463 ' HB3' HD12 ' D' 1532 ' ' LEU . 45.4 mt -100.88 21.29 13.88 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.153 -178.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.602 ' HA ' ' OG ' ' D' 1533 ' ' SER . 4.2 m -67.8 -18.01 64.71 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 120.449 -0.501 . . . . 0.0 112.092 178.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 15.0 m -75.42 -14.01 60.42 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-O 122.169 0.985 . . . . 0.0 109.079 175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.463 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.3 mt -98.27 -16.3 19.45 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.357 178.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.602 ' OG ' ' HA ' ' D' 1530 ' ' SER . 17.5 m -64.53 167.52 7.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.104 -0.953 . . . . 0.0 111.848 178.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 132.07 167.12 11.75 Favored Glycine 0 CA--C 1.483 -1.956 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 -177.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.428 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 53.5 mtp180 -88.43 -14.3 38.29 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 117.737 0.768 . . . . 0.0 110.74 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -64.02 -55.77 19.92 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.06 -162.2 54.13 Favored Glycine 0 N--CA 1.424 -2.11 0 CA-C-N 114.394 -1.276 . . . . 0.0 112.623 175.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -122.05 176.6 5.72 Favored 'General case' 0 N--CA 1.413 -2.309 0 C-N-CA 119.613 -0.835 . . . . 0.0 110.304 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 24.9 p -126.71 159.53 33.43 Favored 'General case' 0 C--N 1.259 -3.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 109.267 -175.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -145.44 141.51 28.45 Favored 'General case' 0 C--N 1.279 -2.495 0 N-CA-C 105.181 -2.155 . . . . 0.0 105.181 174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.72 113.81 22.88 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 119.654 -0.818 . . . . 0.0 110.171 -178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 14.1 t80 -85.0 95.12 8.98 Favored 'General case' 0 C--O 1.259 1.583 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.0 m 56.11 -143.19 0.73 Allowed 'General case' 0 N--CA 1.42 -1.958 0 CA-C-N 114.225 -1.352 . . . . 0.0 109.06 -175.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -108.13 4.5 24.97 Favored 'General case' 0 C--N 1.286 -2.169 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -107.74 -33.91 7.13 Favored 'General case' 0 CA--C 1.468 -2.205 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.277 -166.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -138.82 175.53 21.45 Favored Glycine 0 C--N 1.28 -2.577 0 C-N-CA 119.052 -1.547 . . . . 0.0 114.637 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 98.7 mt -133.78 147.53 51.29 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-N 114.145 -1.027 . . . . 0.0 108.319 178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 45.1 t -99.04 149.26 5.59 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.147 0 N-CA-C 107.127 -1.434 . . . . 0.0 107.127 175.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -130.04 114.19 15.48 Favored 'General case' 0 CA--C 1.453 -2.776 0 N-CA-C 105.245 -2.132 . . . . 0.0 105.245 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 25.3 ptt? -152.54 132.18 13.1 Favored 'General case' 0 C--N 1.276 -2.597 0 C-N-CA 117.846 -1.542 . . . . 0.0 112.721 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.444 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 5.3 p -96.05 144.28 26.45 Favored 'General case' 1 C--N 1.234 -4.442 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.65 -177.418 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.61 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 49.4 mm -83.15 113.71 22.75 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.041 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.534 -176.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' D' 1578 ' ' ASN . 9.3 p 58.57 19.39 6.61 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 126.036 1.735 . . . . 0.0 114.753 176.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -148.01 172.89 28.22 Favored Glycine 0 CA--C 1.479 -2.162 0 N-CA-C 108.53 -1.828 . . . . 0.0 108.53 176.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.484 ' CD ' ' H ' ' D' 1555 ' ' GLU . 0.2 OUTLIER -81.24 145.89 30.72 Favored 'General case' 0 CA--C 1.481 -1.706 0 CA-C-N 118.257 1.029 . . . . 0.0 111.782 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.561 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.8 t-20 -93.2 148.0 22.4 Favored 'General case' 0 C--N 1.27 -2.864 0 CA-C-N 114.429 -1.26 . . . . 0.0 110.307 -174.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 40.5 tt0 -78.9 -10.98 59.98 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.471 0.653 . . . . 0.0 112.405 -172.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.416 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 6.7 t30 -93.78 -7.28 43.92 Favored 'General case' 0 C--N 1.288 -2.096 0 CA-C-O 123.2 1.476 . . . . 0.0 107.267 177.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.644 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.8 m -106.44 158.84 31.73 Favored Pre-proline 0 N--CA 1.403 -2.804 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.102 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.5 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.0 Cg_exo -74.88 167.71 26.47 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.366 2.044 . . . . 0.0 109.136 173.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.33 106.67 0.22 Allowed 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.309 2.006 . . . . 0.0 112.0 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.23 -26.44 5.81 Favored Glycine 0 N--CA 1.432 -1.569 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.644 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 78.0 t -88.66 132.39 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.534 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.47 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -115.11 -2.1 22.03 Favored Glycine 0 N--CA 1.409 -3.105 0 C-N-CA 119.498 -1.335 . . . . 0.0 111.407 -172.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -153.93 128.13 9.07 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.64 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.7 t -152.26 179.64 8.35 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.433 ' O ' ' HD3' ' D' 1571 ' ' ARG . 22.6 m-85 -101.87 150.43 23.19 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -79.53 -5.86 89.16 Favored Glycine 0 C--N 1.306 -1.123 0 CA-C-N 115.955 -0.566 . . . . 0.0 113.664 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -100.3 -63.53 1.12 Allowed 'General case' 0 C--N 1.298 -1.661 0 C-N-CA 119.778 -0.769 . . . . 0.0 111.791 -177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 p -97.76 -13.22 21.51 Favored 'General case' 0 C--N 1.271 -2.83 0 N-CA-C 115.395 1.628 . . . . 0.0 115.395 -172.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.522 ' HA ' ' SG ' ' D' 1566 ' ' CYS . 0.3 OUTLIER 62.75 35.13 14.12 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 123.015 1.388 . . . . 0.0 110.99 -177.481 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 65.6 mt -84.51 103.21 11.47 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 112.683 -2.053 . . . . 0.0 106.326 169.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.9 m -61.57 125.01 22.29 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.74 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.442 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 28.4 m -106.89 15.93 7.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.033 0 CA-C-O 121.518 0.675 . . . . 0.0 110.724 -178.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 159.72 154.16 7.17 Favored Glycine 0 N--CA 1.423 -2.176 0 C-N-CA 119.752 -1.213 . . . . 0.0 113.061 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.47 ' HA ' ' H ' ' D' 1564 ' ' GLY . 94.2 mttt -104.78 153.7 20.97 Favored 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.462 -0.369 . . . . 0.0 111.411 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -52.39 127.42 22.3 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 123.712 0.632 . . . . 0.0 110.515 173.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.462 ' O ' ' HA ' ' D' 1553 ' ' CYS . 32.8 m-80 -147.57 135.46 21.17 Favored 'General case' 0 CA--C 1.45 -2.882 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 178.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.461 ' HE2' ' O ' ' D' 1553 ' ' CYS . 16.6 ptpt -124.72 18.78 8.68 Favored 'General case' 0 C--N 1.261 -3.268 0 CA-C-N 115.204 -0.907 . . . . 0.0 111.686 -169.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 49.8 mtt-85 -89.0 82.19 6.72 Favored 'General case' 0 C--N 1.27 -2.883 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.532 ' O ' ' HB ' ' D' 1518 ' ' VAL . 40.5 tp -76.45 118.16 18.84 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-N 115.104 -0.953 . . . . 0.0 108.465 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.419 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -123.74 151.78 42.85 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 119.723 -0.791 . . . . 0.0 111.781 -178.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.503 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 15.6 t80 -93.29 127.68 38.98 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -175.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.521 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -143.99 93.18 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.405 -2.722 0 CA-C-O 121.478 0.656 . . . . 0.0 110.002 -177.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.1 t70 58.81 55.04 4.82 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.15 0.976 . . . . 0.0 111.146 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.498 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 53.3 mt-30 71.48 0.7 3.57 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 114.242 -1.345 . . . . 0.0 112.916 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.521 ' HB ' ' O ' ' D' 1584 ' ' VAL . 67.9 t -103.14 155.55 5.31 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 174.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.406 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.2 mt -121.41 133.38 55.08 Favored 'General case' 0 C--N 1.263 -3.155 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 172.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.511 ' HA ' ' O ' ' D' 1610 ' ' ILE . 37.3 tt0 -133.63 131.68 39.88 Favored 'General case' 0 C--N 1.273 -2.723 0 C-N-CA 116.524 -2.07 . . . . 0.0 113.218 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.27 132.49 55.52 Favored 'General case' 0 CA--C 1.485 -1.548 0 CA-C-N 113.981 -1.463 . . . . 0.0 109.002 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.4 t -122.66 115.31 45.56 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.45 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.61 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 18.8 m-30 -94.06 93.05 7.62 Favored 'General case' 1 N--CA 1.372 -4.364 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 21.8 pttp -99.16 -173.49 2.51 Favored 'General case' 0 C--N 1.289 -2.032 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.4 ' O ' ' HE3' ' D' 1576 ' ' LYS . 62.2 m-20 62.13 34.67 16.15 Favored 'General case' 0 CA--C 1.497 -1.092 0 O-C-N 124.635 1.209 . . . . 0.0 110.878 178.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.28 -167.9 0.7 Allowed Glycine 0 CA--C 1.537 1.427 0 CA-C-N 114.618 -1.173 . . . . 0.0 111.255 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 40.0 p -77.87 147.85 74.71 Favored Pre-proline 0 C--N 1.277 -2.573 0 O-C-N 121.399 -1.06 . . . . 0.0 109.039 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_exo -48.33 112.74 0.65 Allowed 'Trans proline' 0 C--N 1.365 1.439 0 C-N-CA 122.946 2.431 . . . . 0.0 110.626 177.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.563 ' HB3' ' O ' ' D' 1601 ' ' LYS . 42.2 t -70.3 138.32 86.74 Favored Pre-proline 0 N--CA 1.415 -2.198 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.493 -170.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 44.5 Cg_exo -61.12 -39.71 57.0 Favored 'Trans proline' 0 CA--C 1.511 -0.663 0 C-N-CA 122.861 2.374 . . . . 0.0 111.905 174.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 3.1 m -73.07 -38.38 66.45 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.64 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' D' 1598 ' ' CYS . 34.5 mmtp -139.69 122.43 16.43 Favored 'General case' 0 C--N 1.296 -1.731 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 16.0 m -120.76 109.35 15.07 Favored 'General case' 0 C--N 1.256 -3.48 0 CA-C-O 122.449 1.118 . . . . 0.0 108.745 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 122.37 -13.15 8.92 Favored Glycine 0 CA--C 1.467 -2.956 0 N-CA-C 105.63 -2.988 . . . . 0.0 105.63 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.503 HD23 ' CB ' ' D' 1601 ' ' LYS . 33.5 tp -103.13 170.41 7.98 Favored 'General case' 1 N--CA 1.367 -4.579 0 CA-C-N 109.109 -3.546 . . . . 0.0 105.859 170.102 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 42.4 m -146.06 172.92 12.69 Favored 'General case' 0 C--N 1.249 -3.804 0 N-CA-C 107.575 -1.269 . . . . 0.0 107.575 -171.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.442 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 90.5 m-85 -84.37 158.66 21.05 Favored 'General case' 0 C--N 1.301 -1.541 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.308 178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -147.06 153.7 40.3 Favored 'General case' 0 N--CA 1.417 -2.082 0 C-N-CA 119.705 -0.798 . . . . 0.0 108.858 168.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.572 ' HB2' ' H ' ' D' 1592 ' ' TYR . 47.0 m -97.43 149.99 21.53 Favored 'General case' 0 C--N 1.273 -2.733 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.205 172.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 8.9 t -128.08 93.88 2.32 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.965 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.538 ' HA ' ' HB2' ' D' 1638 ' ' PHE . 50.3 mt -93.16 95.23 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.463 -2.392 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.438 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.3 m -88.41 102.14 14.59 Favored 'General case' 0 C--N 1.288 -2.085 0 N-CA-C 106.776 -1.564 . . . . 0.0 106.776 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.4 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.9 m-85 -76.82 125.33 29.09 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 106.555 -1.646 . . . . 0.0 106.555 177.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.6 t -121.38 132.36 70.84 Favored 'Isoleucine or valine' 0 C--N 1.254 -3.575 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -171.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.649 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.8 p -68.3 116.49 8.94 Favored 'General case' 0 C--N 1.28 -2.432 0 CA-C-N 114.612 -1.176 . . . . 0.0 111.11 179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.522 ' HA ' ' HE ' ' D' 1615 ' ' ARG . 0.3 OUTLIER -143.72 114.35 5.55 Favored Pre-proline 0 C--N 1.298 -1.664 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 174.647 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.23 -10.37 27.12 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 121.493 1.462 . . . . 0.0 112.221 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.487 ' H ' ' HG3' ' D' 1615 ' ' ARG . 18.9 mt-10 -91.31 138.45 31.57 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 106.647 -1.612 . . . . 0.0 106.647 175.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.46 -171.95 2.31 Favored 'General case' 0 C--N 1.261 -3.269 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.735 -175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -128.5 163.18 22.06 Favored Glycine 0 N--CA 1.437 -1.256 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 178.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.45 -43.34 10.78 Favored 'Trans proline' 0 CA--C 1.489 -1.73 0 C-N-CA 123.574 2.849 . . . . 0.0 109.213 -178.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.0 m -104.93 -47.0 4.13 Favored 'General case' 0 C--N 1.275 -2.648 0 CA-C-N 113.216 -1.811 . . . . 0.0 108.234 175.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . 0.503 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.0 t-20 75.72 78.29 0.1 Allowed 'General case' 0 N--CA 1.408 -2.563 0 CA-C-N 112.755 -2.02 . . . . 0.0 106.784 -179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -104.13 157.77 33.32 Favored Pre-proline 0 C--N 1.299 -1.614 0 CA-C-N 112.725 -2.034 . . . . 0.0 111.029 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.488 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 15.4 Cg_exo -68.53 116.29 4.33 Favored 'Trans proline' 0 N--CA 1.445 -1.34 0 C-N-CA 121.994 1.796 . . . . 0.0 108.141 169.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 4.4 mmt -78.25 104.02 8.56 Favored 'General case' 0 N--CA 1.427 -1.616 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 -174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.76 109.07 1.31 Allowed 'General case' 0 N--CA 1.429 -1.49 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.631 177.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.435 HD12 ' HB3' ' D' 1637 ' ' PHE . 56.1 mt -65.76 -57.84 9.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 114.643 -1.162 . . . . 0.0 107.979 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 20.4 t -177.94 162.44 1.67 Allowed 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.424 -1.262 . . . . 0.0 111.249 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.3 tp -91.06 145.91 24.29 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 172.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -116.87 106.63 13.66 Favored 'General case' 0 N--CA 1.41 -2.458 0 N-CA-C 107.601 -1.259 . . . . 0.0 107.601 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -77.39 -2.53 35.61 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.99 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -89.1 -31.69 17.89 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 121.843 -0.536 . . . . 0.0 111.895 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 33.0 p -128.0 1.19 5.93 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' D' 1601 ' ' LYS . 17.6 m 60.82 47.18 8.08 Favored 'General case' 0 N--CA 1.412 -2.355 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.109 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 5.8 m -112.3 129.85 56.14 Favored 'General case' 0 C--N 1.267 -2.989 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.293 -174.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.2 mp -98.64 106.61 18.9 Favored 'General case' 0 N--CA 1.424 -1.77 0 N-CA-C 106.333 -1.729 . . . . 0.0 106.333 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.435 ' HB3' HD12 ' D' 1627 ' ' ILE . 53.1 m-85 -87.37 112.55 22.23 Favored 'General case' 0 N--CA 1.416 -2.171 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.416 -176.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.538 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 96.8 m-85 -113.94 147.77 37.97 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.438 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.1 p -134.09 109.5 8.98 Favored 'General case' 0 C--N 1.279 -2.483 0 CA-C-O 121.491 0.662 . . . . 0.0 109.644 172.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.503 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.9 t90 -95.56 102.15 13.92 Favored 'General case' 0 C--N 1.279 -2.479 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -84.54 106.5 16.16 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 106.722 -1.585 . . . . 0.0 106.722 177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.3 t -141.28 147.79 48.43 Favored Pre-proline 0 N--CA 1.398 -3.045 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.467 -173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.654 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 37.0 Cg_exo -68.47 -7.5 20.43 Favored 'Trans proline' 0 C--N 1.322 -0.824 0 C-N-CA 123.736 2.957 . . . . 0.0 111.832 172.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.59 -35.84 77.91 Favored 'General case' 0 C--O 1.212 -0.907 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.649 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.9 13.68 21.92 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.665 -174.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.654 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.4 p -116.19 149.22 39.45 Favored 'General case' 0 CA--C 1.433 -3.524 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 -176.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.469 ' O ' ' HE3' ' D' 1651 ' ' LYS . 0.3 OUTLIER -167.69 -36.61 0.02 OUTLIER 'General case' 0 C--N 1.252 -3.663 0 CA-C-N 113.602 -1.635 . . . . 0.0 107.415 -171.116 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -65.02 -46.97 79.09 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.757 -1.111 . . . . 0.0 110.952 176.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -77.32 -17.87 57.93 Favored 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.758 0.789 . . . . 0.0 110.48 177.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.9 m -76.5 -8.0 56.28 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 122.507 1.146 . . . . 0.0 109.255 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.469 ' HE3' ' O ' ' D' 1647 ' ' GLU . 8.0 mmpt? -80.33 -13.91 58.79 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.828 178.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -109.62 73.87 0.87 Allowed 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.386 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.257 -3.446 0 CA-C-N 118.957 0.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . 0.462 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 19.3 m . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.7 t30 -140.2 11.48 2.37 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 122.261 1.029 . . . . 0.0 111.001 -172.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' D' 1581 ' ' LEU . 1.4 mp0 -84.98 -171.94 3.91 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-N 115.343 -0.844 . . . . 0.0 108.758 177.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.6 t-80 -152.15 -76.28 0.13 Allowed 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.598 -0.841 . . . . 0.0 109.322 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -99.77 13.83 32.35 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 114.504 -1.225 . . . . 0.0 107.716 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' D' 1517 ' ' GLN . 17.4 m-20 63.01 175.59 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.283 -1.781 . . . . 0.0 110.712 -172.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 6.0 p 52.04 11.72 0.17 Allowed 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 125.991 1.716 . . . . 0.0 113.614 -176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.564 ' HA ' ' O ' ' D' 1527 ' ' PHE . 19.5 mt-30 -144.66 134.27 23.42 Favored 'General case' 0 N--CA 1.415 -2.208 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.409 HG21 ' HA ' ' D' 1582 ' ' ARG . 9.1 p -142.69 148.27 20.01 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 176.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.64 146.22 39.03 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.873 0.844 . . . . 0.0 112.771 179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.453 HD21 ' NE2' ' D' 1648 ' ' GLN . 10.1 t-20 -66.39 132.58 94.33 Favored Pre-proline 0 C--N 1.301 -1.517 0 N-CA-C 105.939 -1.875 . . . . 0.0 105.939 173.353 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.439 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 46.2 Cg_endo -87.72 -1.28 7.38 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 N-CA-C 106.968 -1.974 . . . . 0.0 106.968 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 6.4 t -110.41 -6.81 14.87 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-N 112.341 -2.209 . . . . 0.0 110.908 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 31.7 m -131.95 -36.66 1.18 Allowed 'General case' 0 CA--C 1.496 -1.11 0 CA-C-O 121.777 0.798 . . . . 0.0 109.406 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 83.91 20.67 59.05 Favored Glycine 0 N--CA 1.402 -3.581 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 47.3 t60 -98.19 116.03 29.56 Favored 'General case' 0 CA--C 1.487 -1.45 0 CA-C-N 114.238 -0.981 . . . . 0.0 108.422 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.501 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -76.17 128.59 35.25 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.564 ' O ' ' HA ' ' D' 1517 ' ' GLN . 96.6 m-85 -105.54 135.49 46.84 Favored 'General case' 0 CA--C 1.465 -2.295 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 177.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -127.78 114.82 17.76 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-O 122.13 0.967 . . . . 0.0 109.364 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . . . . . . . . . 74.2 mt -105.02 25.9 9.94 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 115.172 -0.922 . . . . 0.0 108.934 -177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.628 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.8 m -68.38 -16.79 64.05 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.69 175.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 47.7 t -76.26 -12.56 60.1 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 76.3 mt -102.42 -18.71 15.25 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.628 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.3 m -69.08 171.0 8.89 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.865 -179.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 119.67 158.66 10.69 Favored Glycine 0 N--CA 1.433 -1.542 0 C-N-CA 120.537 -0.84 . . . . 0.0 111.183 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' D' 1555 ' ' GLU . 30.7 mtp180 -79.15 -12.07 59.98 Favored 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 123.393 0.677 . . . . 0.0 111.97 -176.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.98 -50.89 66.8 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 173.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.459 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.61 -169.39 37.65 Favored Glycine 0 N--CA 1.429 -1.795 0 CA-C-N 114.003 -1.453 . . . . 0.0 114.144 174.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -122.61 -178.12 3.83 Favored 'General case' 0 CA--C 1.472 -2.054 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.1 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.523 ' O ' ' HD2' ' D' 1623 ' ' ARG . 15.8 p -132.29 152.74 51.24 Favored 'General case' 0 C--N 1.263 -3.184 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.783 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -137.64 125.92 23.2 Favored 'General case' 0 C--N 1.285 -2.233 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.46 130.49 43.01 Favored 'General case' 0 C--N 1.29 -1.993 0 C-N-CA 120.742 -0.383 . . . . 0.0 111.279 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 86.9 t80 -110.57 102.38 10.97 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 15.6 m 55.07 -141.51 0.86 Allowed 'General case' 0 CA--C 1.565 1.557 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -108.39 -2.89 18.72 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 48.0 mmtm -104.39 -33.1 8.74 Favored 'General case' 0 CA--C 1.471 -2.079 0 CA-C-N 113.847 -1.524 . . . . 0.0 110.951 -161.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.598 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -136.98 165.5 25.11 Favored Glycine 0 C--N 1.265 -3.387 0 CA-C-N 114.396 -1.274 . . . . 0.0 113.553 -176.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.2 150.65 49.1 Favored 'General case' 0 C--N 1.266 -3.049 0 CA-C-N 115.122 -0.539 . . . . 0.0 109.714 170.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 42.3 t -98.36 146.02 8.83 Favored 'Isoleucine or valine' 0 C--N 1.263 -3.162 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.455 ' O ' ' HA ' ' D' 1565 ' ' ALA . 17.9 m-85 -121.59 114.29 20.98 Favored 'General case' 0 CA--C 1.451 -2.863 0 N-CA-C 104.275 -2.491 . . . . 0.0 104.275 177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.7 ptm -148.33 117.22 6.72 Favored 'General case' 0 C--N 1.267 -3.006 0 C-N-CA 118.587 -1.245 . . . . 0.0 112.096 -170.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.459 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.8 p -93.5 145.41 24.53 Favored 'General case' 1 C--N 1.231 -4.587 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.034 -179.663 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.59 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.8 mm -86.44 127.3 40.45 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . . . . . . . . . 1.7 t 77.08 -34.61 0.21 Allowed 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 174.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -122.85 -177.24 15.14 Favored Glycine 0 C--N 1.282 -2.471 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.736 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.8 OUTLIER -78.39 157.25 29.1 Favored 'General case' 0 CA--C 1.472 -2.037 0 CA-C-O 121.223 0.535 . . . . 0.0 109.864 179.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.563 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 18.4 t-20 -100.03 139.42 35.72 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.086 -176.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -71.82 -11.15 60.67 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -172.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -99.08 -5.39 30.35 Favored 'General case' 0 C--N 1.28 -2.449 0 CA-C-O 123.0 1.381 . . . . 0.0 107.502 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.585 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.1 m -100.6 168.12 9.8 Favored Pre-proline 0 N--CA 1.409 -2.499 0 CA-C-N 112.93 -1.941 . . . . 0.0 107.461 179.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.3 Cg_exo -75.72 142.64 25.98 Favored 'Trans proline' 0 N--CA 1.44 -1.618 0 N-CA-C 107.131 -1.911 . . . . 0.0 107.131 171.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -47.45 105.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.805 2.336 . . . . 0.0 112.408 -179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.38 -26.1 3.55 Favored Glycine 0 N--CA 1.431 -1.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.458 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.585 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.1 t -93.11 132.32 37.65 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.579 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.434 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -106.28 -7.62 34.73 Favored Glycine 0 N--CA 1.412 -2.934 0 C-N-CA 119.682 -1.247 . . . . 0.0 111.501 -173.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.61 128.37 8.7 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-O 120.873 0.368 . . . . 0.0 110.637 -178.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.495 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.3 t -150.02 178.29 9.08 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.91 135.3 43.71 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.69 -11.59 73.24 Favored Glycine 0 C--N 1.304 -1.207 0 N-CA-C 115.36 0.904 . . . . 0.0 115.36 -176.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.598 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.4 mp0 -101.45 -43.33 5.96 Favored 'General case' 0 C--N 1.291 -1.948 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 25.0 p -99.63 -28.48 13.17 Favored 'General case' 0 C--N 1.284 -2.254 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 66.91 32.89 6.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.498 1.142 . . . . 0.0 110.703 -175.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 68.4 mt -90.49 111.18 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.888 0 CA-C-N 113.281 -1.781 . . . . 0.0 106.726 170.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.5 m -66.38 131.04 45.18 Favored 'General case' 0 C--N 1.305 -1.346 0 C-N-CA 123.805 0.842 . . . . 0.0 111.31 -176.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.493 ' HB ' HD13 ' D' 1636 ' ' LEU . 27.8 m -110.61 17.49 7.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.858 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.917 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 154.55 150.58 5.56 Favored Glycine 0 N--CA 1.43 -1.707 0 C-N-CA 119.975 -1.107 . . . . 0.0 113.128 176.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 51.4 mttp -100.78 152.66 20.23 Favored 'General case' 0 C--N 1.286 -2.185 0 O-C-N 122.755 -0.262 . . . . 0.0 111.175 178.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -51.0 130.41 25.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.013 0.925 . . . . 0.0 113.299 176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -148.79 142.6 25.65 Favored 'General case' 0 CA--C 1.48 -1.725 0 N-CA-C 104.625 -2.361 . . . . 0.0 104.625 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -126.36 18.29 7.6 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -169.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.495 ' O ' ' HD3' ' D' 1580 ' ' ARG 0.37 0.0 OUTLIER -94.28 87.17 5.14 Favored 'General case' 0 C--N 1.256 -3.478 0 C-N-CA 118.452 -1.299 . . . . 0.0 112.028 -179.134 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.495 ' O ' ' HG3' ' D' 1512 ' ' GLU . 41.3 tp -69.82 120.45 15.58 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 113.593 -1.64 . . . . 0.0 109.131 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.409 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -127.78 151.28 49.22 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.682 -0.807 . . . . 0.0 110.943 179.706 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 4.7 t80 -93.56 132.1 38.19 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 -175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.531 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.5 93.9 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.415 -2.2 0 CA-C-O 121.084 0.469 . . . . 0.0 110.343 -175.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.7 t70 58.77 60.03 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.11 0.957 . . . . 0.0 111.281 175.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 71.92 -4.67 1.89 Allowed 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 113.806 -1.543 . . . . 0.0 112.18 178.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.531 ' HB ' ' O ' ' D' 1584 ' ' VAL . 78.3 t -102.85 158.08 4.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 7.2 mt -122.1 127.86 50.64 Favored 'General case' 0 C--N 1.279 -2.496 0 N-CA-C 102.974 -2.972 . . . . 0.0 102.974 170.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.646 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.7 tt0 -132.54 136.0 46.33 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 117.518 -1.673 . . . . 0.0 114.138 -171.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.51 ' HB2' HD13 ' D' 1610 ' ' ILE . 22.0 mt -112.5 157.52 21.01 Favored 'General case' 0 CA--C 1.486 -1.501 0 N-CA-C 107.245 -1.391 . . . . 0.0 107.245 175.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1609 ' ' VAL . 60.0 t -141.17 126.22 18.28 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.729 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 178.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.59 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 22.2 m-30 -109.72 94.0 4.79 Favored 'General case' 0 N--CA 1.384 -3.733 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.545 ' HA ' ' HB2' ' D' 1607 ' ' LYS . 19.4 pttp -101.71 -170.4 1.82 Allowed 'General case' 0 C--N 1.291 -1.947 0 C-N-CA 119.878 -0.729 . . . . 0.0 109.906 -178.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 37.9 m-20 61.17 37.0 17.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 O-C-N 124.607 1.192 . . . . 0.0 109.833 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -66.92 -158.92 0.79 Allowed Glycine 0 N--CA 1.438 -1.211 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.573 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.7 m -74.67 146.54 83.45 Favored Pre-proline 0 C--N 1.275 -2.646 0 O-C-N 122.023 -0.692 . . . . 0.0 109.707 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -48.01 115.61 1.57 Allowed 'Trans proline' 0 C--N 1.366 1.457 0 C-N-CA 122.813 2.342 . . . . 0.0 109.443 175.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' D' 1600 ' ' SER . 50.8 t -75.92 121.2 84.57 Favored Pre-proline 0 N--CA 1.416 -2.135 0 CA-C-N 114.954 -1.021 . . . . 0.0 112.929 -170.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 29.1 Cg_exo -70.39 -28.71 21.9 Favored 'Trans proline' 0 C--O 1.238 0.495 0 C-N-CA 123.199 2.6 . . . . 0.0 111.568 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . 0.54 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.7 m -66.46 -15.65 63.51 Favored 'General case' 0 C--N 1.296 -1.741 0 CA-C-N 114.075 -1.421 . . . . 0.0 112.625 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.523 ' HG2' ' H ' ' D' 1602 ' ' SER . 17.1 ttmm -148.47 -157.44 0.81 Allowed 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 175.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.523 ' H ' ' HG2' ' D' 1601 ' ' LYS . 3.9 p -144.37 107.95 4.64 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-N 119.75 1.159 . . . . 0.0 113.708 -177.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.9 14.65 28.57 Favored Glycine 0 CA--C 1.471 -2.694 0 CA-C-O 123.416 1.564 . . . . 0.0 109.652 171.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.438 HD12 ' H ' ' D' 1605 ' ' SER . 45.8 tp -121.25 179.51 4.39 Favored 'General case' 1 N--CA 1.367 -4.609 0 CA-C-N 111.859 -2.17 . . . . 0.0 108.146 -177.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.438 ' H ' HD12 ' D' 1604 ' ' LEU . 5.7 m -137.65 170.54 15.9 Favored 'General case' 0 C--N 1.268 -2.974 0 N-CA-C 106.561 -1.644 . . . . 0.0 106.561 -173.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -89.68 152.98 21.07 Favored 'General case' 0 C--N 1.294 -1.82 0 C-N-CA 119.802 -0.759 . . . . 0.0 109.633 174.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.545 ' HB2' ' HA ' ' D' 1593 ' ' LYS . 17.4 pttm -146.16 168.62 20.56 Favored 'General case' 0 N--CA 1.423 -1.813 0 C-N-CA 118.725 -1.19 . . . . 0.0 111.333 171.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.561 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 54.5 m -109.43 154.43 22.62 Favored 'General case' 0 C--N 1.257 -3.432 0 CA-C-N 113.288 -1.778 . . . . 0.0 111.309 176.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.438 HG22 HG22 ' D' 1591 ' ' VAL . 3.4 t -132.67 104.86 7.82 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.353 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 167.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.646 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.5 mp -95.86 92.64 3.32 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.248 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 -178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.588 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.9 m -91.86 103.51 16.04 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.149 -1.021 . . . . 0.0 108.483 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' D' 1587 ' ' VAL . 99.6 m-85 -79.19 121.1 24.62 Favored 'General case' 0 CA--C 1.481 -1.678 0 N-CA-C 107.167 -1.42 . . . . 0.0 107.167 175.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . 0.406 HG12 ' HG2' ' D' 1615 ' ' ARG . 44.3 t -115.1 125.88 72.53 Favored 'Isoleucine or valine' 0 C--N 1.25 -3.739 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -174.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.57 ' O ' ' HD2' ' D' 1615 ' ' ARG . 4.3 p -68.93 94.13 0.61 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.831 -177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.57 ' HD2' ' O ' ' D' 1614 ' ' CYS . 31.5 mmm180 -144.34 141.97 18.9 Favored Pre-proline 0 C--O 1.213 -0.838 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -76.13 4.89 4.93 Favored 'Trans proline' 0 CA--C 1.545 1.068 0 C-N-CA 122.626 2.217 . . . . 0.0 110.205 172.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.19 -12.23 54.69 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 126.402 1.881 . . . . 0.0 115.811 -177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' D' 1642 ' ' THR . . . -60.1 176.47 0.32 Allowed 'General case' 0 C--N 1.263 -3.167 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.203 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . 0.42 ' HA3' ' HD2' ' D' 1620 ' ' PRO . . . -159.36 -160.0 10.12 Favored Glycine 0 N--CA 1.42 -2.393 0 C-N-CA 118.829 -1.653 . . . . 0.0 113.005 -172.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . 0.42 ' HD2' ' HA3' ' D' 1619 ' ' GLY . 55.6 Cg_endo -71.71 -26.15 19.72 Favored 'Trans proline' 0 CA--C 1.489 -1.762 0 C-N-CA 124.06 3.173 . . . . 0.0 110.242 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . 0.477 HG22 ' HG2' ' D' 1623 ' ' ARG . 2.9 m -78.54 -61.92 1.85 Allowed 'General case' 0 C--N 1.267 -3.009 0 CA-C-N 112.451 -2.158 . . . . 0.0 108.244 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 62.4 t30 59.82 72.29 0.53 Allowed 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 125.596 1.559 . . . . 0.0 109.089 174.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.523 ' HD2' ' O ' ' D' 1539 ' ' THR . 69.9 mmt-85 -122.63 152.68 62.26 Favored Pre-proline 0 C--N 1.298 -1.643 0 CA-C-N 113.052 -1.885 . . . . 0.0 113.257 -176.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -70.73 114.28 3.81 Favored 'Trans proline' 0 N--CA 1.44 -1.63 0 C-N-CA 121.726 1.618 . . . . 0.0 108.602 171.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 57.1 ttp -81.97 110.79 17.55 Favored 'General case' 0 N--CA 1.415 -2.208 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.697 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.31 111.27 2.2 Favored 'General case' 0 C--N 1.288 -2.087 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 173.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.487 HD11 ' OG ' ' D' 1639 ' ' SER . 49.4 mt -65.46 -56.91 13.08 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 48.1 p -164.27 154.5 14.67 Favored 'General case' 0 N--CA 1.421 -1.91 0 CA-C-N 113.869 -1.514 . . . . 0.0 111.92 -177.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 42.4 tp -92.46 110.57 21.99 Favored 'General case' 0 N--CA 1.427 -1.609 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 170.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.17 94.0 6.57 Favored 'General case' 0 C--N 1.278 -2.54 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -178.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 35.2 mtmm -64.14 -26.43 68.53 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.121 -179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -59.85 -25.76 65.29 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 113.779 -1.555 . . . . 0.0 112.213 -178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 6.2 p -135.44 8.97 3.4 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.448 ' SG ' ' SG ' ' D' 1598 ' ' CYS . 33.6 m 50.97 45.29 27.89 Favored 'General case' 0 N--CA 1.421 -1.913 0 CA-C-N 113.359 -1.746 . . . . 0.0 112.004 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.431 ' HA ' ' O ' ' D' 1607 ' ' LYS . 45.5 m -123.13 131.16 53.58 Favored 'General case' 0 C--N 1.25 -3.73 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.922 -174.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . 0.493 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.1 mp -93.16 107.73 19.48 Favored 'General case' 0 N--CA 1.407 -2.61 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 174.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.18 114.23 24.59 Favored 'General case' 0 C--N 1.282 -2.356 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.031 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.9 m-85 -112.2 144.92 40.79 Favored 'General case' 0 C--N 1.286 -2.158 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.588 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.9 m -139.09 110.76 7.11 Favored 'General case' 0 C--N 1.259 -3.35 0 CA-C-O 121.597 0.713 . . . . 0.0 109.919 172.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.488 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.7 t90 -93.3 106.39 18.36 Favored 'General case' 0 N--CA 1.414 -2.27 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 -177.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . 0.423 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 16.7 m170 -83.29 99.38 9.96 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 106.575 -1.639 . . . . 0.0 106.575 178.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.2 t -135.78 146.15 55.92 Favored Pre-proline 0 N--CA 1.396 -3.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.79 -171.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' D' 1642 ' ' THR . 14.8 Cg_exo -72.67 -9.85 24.41 Favored 'Trans proline' 0 N--CA 1.44 -1.673 0 C-N-CA 123.693 2.929 . . . . 0.0 110.2 174.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 24.1 mt -64.07 -37.71 88.44 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.388 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.544 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -88.24 7.23 33.05 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 121.456 0.646 . . . . 0.0 110.241 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 45.4 t -115.19 169.97 8.72 Favored 'General case' 0 N--CA 1.393 -3.311 0 N-CA-C 105.993 -1.855 . . . . 0.0 105.993 -173.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 177.02 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.266 -3.026 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -170.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.453 ' NE2' HD21 ' D' 1520 ' ' ASN . 47.0 mt-30 -79.76 -53.62 6.63 Favored 'General case' 0 C--N 1.298 -1.647 0 CA-C-N 113.233 -1.803 . . . . 0.0 111.603 -175.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.17 -9.32 58.44 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.99 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 28.2 m -70.03 -10.14 57.65 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 122.446 1.117 . . . . 0.0 109.483 178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -92.3 -7.86 46.8 Favored 'General case' 0 C--N 1.303 -1.419 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.321 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -109.54 -82.46 0.57 Allowed 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.005 0 CA-C-N 119.425 1.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 48.5 m-20 -166.53 111.18 0.78 Allowed 'General case' 0 CA--C 1.482 -1.669 0 C-N-CA 124.893 1.277 . . . . 0.0 108.073 -179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.26 159.65 28.71 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 27.7 t-80 -112.73 -82.49 0.59 Allowed 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 117.933 -1.507 . . . . 0.0 110.48 -175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -103.62 17.41 24.15 Favored 'General case' 0 C--N 1.277 -2.559 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.587 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 42.8 m-20 67.49 174.34 0.26 Allowed 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 112.545 -2.116 . . . . 0.0 110.176 -170.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 3.8 p 54.37 10.27 0.31 Allowed 'General case' 0 N--CA 1.501 2.123 0 C-N-CA 125.812 1.645 . . . . 0.0 113.105 -173.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.568 ' HA ' ' O ' ' D' 1527 ' ' PHE . 18.3 mt-30 -140.7 118.74 11.9 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 105.764 -1.939 . . . . 0.0 105.764 -174.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.564 HG21 ' HA ' ' D' 1582 ' ' ARG . 3.9 p -126.12 155.7 36.11 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 3.3 p -115.27 138.4 50.98 Favored 'General case' 0 C--N 1.272 -2.766 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -170.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.514 ' HB2' ' H ' ' D' 1525 ' ' HIS . 10.6 m120 -65.54 119.59 61.22 Favored Pre-proline 0 CA--C 1.499 -1.007 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 161.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.411 ' CD ' ' H ' ' D' 1522 ' ' SER . 37.5 Cg_endo -87.49 -9.76 5.71 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 121.595 1.53 . . . . 0.0 108.313 -175.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.411 ' H ' ' CD ' ' D' 1521 ' ' PRO . 3.4 p -106.41 -11.08 16.06 Favored 'General case' 0 C--N 1.281 -2.394 0 CA-C-N 112.469 -2.151 . . . . 0.0 112.247 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.1 m -128.18 -32.38 2.26 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.771 0.796 . . . . 0.0 109.116 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 87.25 17.15 59.51 Favored Glycine 0 N--CA 1.419 -2.441 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.923 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.514 ' H ' ' HB2' ' D' 1520 ' ' ASN . 67.5 t60 -88.41 136.19 33.11 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.999 -0.601 . . . . 0.0 109.424 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.538 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -100.62 133.81 44.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.568 ' O ' ' HA ' ' D' 1517 ' ' GLN . 98.3 m-85 -105.79 137.35 43.82 Favored 'General case' 0 CA--C 1.46 -2.502 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 175.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . 0.521 ' O ' HD11 ' D' 1644 ' ' LEU . 1.7 p-10 -134.04 130.83 38.08 Favored 'General case' 0 C--N 1.263 -3.158 0 C-N-CA 119.11 -1.036 . . . . 0.0 109.845 -178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.465 HD11 HD13 ' D' 1581 ' ' LEU . 19.2 mt -110.17 14.75 22.76 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.896 -1.52 . . . . 0.0 106.896 174.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.571 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.4 m -69.94 -26.05 63.94 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.812 177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.3 m -75.14 -10.29 59.33 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-O 122.037 0.922 . . . . 0.0 108.896 175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 96.4 mt -105.41 -13.73 15.55 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.989 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.571 ' OG ' ' HA ' ' D' 1530 ' ' SER . 22.4 m -68.68 171.77 7.24 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -176.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' D' 1551 ' ' SER . . . 129.12 178.83 15.58 Favored Glycine 0 CA--C 1.49 -1.474 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.553 -178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.475 ' HG2' ' HB2' ' D' 1557 ' ' GLU . 28.2 ttm180 -91.71 -17.98 24.63 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.382 0.611 . . . . 0.0 109.53 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.54 -54.14 47.03 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.011 175.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.476 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 65.0 -162.29 39.52 Favored Glycine 0 CA--C 1.489 -1.533 0 CA-C-N 114.435 -1.257 . . . . 0.0 113.034 177.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -126.01 179.09 5.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.175 178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.425 ' HA ' ' O ' ' D' 1548 ' ' VAL . 40.4 p -130.91 143.77 50.97 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.75 -175.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.71 158.23 37.0 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -96.97 129.52 44.42 Favored 'General case' 0 C--N 1.28 -2.438 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.813 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 68.5 t80 -116.78 105.76 12.74 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 48.2 t 57.55 -147.45 0.52 Allowed 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -106.13 -4.09 20.73 Favored 'General case' 0 C--N 1.282 -2.347 0 CA-C-O 121.677 0.751 . . . . 0.0 109.403 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 63.7 pttt -115.5 -24.55 8.29 Favored 'General case' 0 CA--C 1.483 -1.634 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.254 -168.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -123.32 159.6 17.94 Favored Glycine 0 N--CA 1.405 -3.424 0 C-N-CA 119.856 -1.164 . . . . 0.0 114.892 -172.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 92.1 mt -132.94 149.23 52.26 Favored 'General case' 0 C--N 1.269 -2.904 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 174.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 41.9 t -104.43 143.2 16.38 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.661 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 176.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -123.62 114.83 20.52 Favored 'General case' 0 CA--C 1.454 -2.749 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 20.2 ptt? -150.86 130.33 12.95 Favored 'General case' 0 N--CA 1.396 -3.126 0 C-N-CA 117.565 -1.654 . . . . 0.0 112.988 -175.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.519 ' HB2' ' O ' ' D' 1534 ' ' GLY . 13.1 p -100.23 151.99 20.81 Favored 'General case' 1 C--N 1.238 -4.262 0 CA-C-N 114.759 -1.11 . . . . 0.0 112.226 -178.01 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.687 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 68.4 mt -97.46 129.65 47.26 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.794 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' D' 1579 ' ' LYS . 38.5 t 74.95 -24.32 0.22 Allowed 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 114.256 1.206 . . . . 0.0 114.256 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -130.1 175.69 19.07 Favored Glycine 0 CA--C 1.477 -2.282 0 CA-C-O 118.944 -0.92 . . . . 0.0 110.988 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -79.26 155.58 28.48 Favored 'General case' 0 CA--C 1.474 -1.976 0 CA-C-N 117.675 0.738 . . . . 0.0 110.027 -179.817 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.564 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 17.6 t-20 -97.73 146.14 25.66 Favored 'General case' 0 C--N 1.271 -2.82 0 CA-C-N 114.77 -1.104 . . . . 0.0 111.914 -173.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.475 ' HB2' ' HG2' ' D' 1535 ' ' ARG . 37.6 tt0 -59.47 -22.39 61.47 Favored 'General case' 0 C--N 1.299 -1.6 0 C-N-CA 125.381 1.472 . . . . 0.0 114.274 -177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -92.3 -8.4 45.27 Favored 'General case' 0 C--N 1.277 -2.571 0 CA-C-O 123.108 1.432 . . . . 0.0 108.243 -178.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 83.8 m -105.72 157.7 34.01 Favored Pre-proline 0 N--CA 1.395 -3.201 0 CA-C-N 112.908 -1.951 . . . . 0.0 109.526 -172.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 10.5 Cg_exo -78.64 160.93 28.08 Favored 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.269 1.98 . . . . 0.0 108.526 172.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.9 Cg_endo -49.08 106.45 0.11 Allowed 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 123.279 2.653 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.48 -26.23 5.79 Favored Glycine 0 N--CA 1.432 -1.616 0 CA-C-N 115.467 -0.788 . . . . 0.0 112.687 178.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.2 t -90.68 129.19 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.74 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -110.87 -1.59 28.69 Favored Glycine 0 N--CA 1.415 -2.701 0 C-N-CA 118.905 -1.617 . . . . 0.0 111.36 -175.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.16 123.12 6.35 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 122.489 0.316 . . . . 0.0 110.225 -176.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 8.4 t -148.66 -176.98 5.53 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -101.11 141.31 34.19 Favored 'General case' 0 C--N 1.294 -1.813 0 CA-C-O 120.79 0.329 . . . . 0.0 110.21 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -70.92 -36.1 65.25 Favored Glycine 0 CA--C 1.485 -1.808 0 CA-C-N 115.342 -0.845 . . . . 0.0 113.671 -177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.08 -43.41 6.35 Favored 'General case' 0 C--N 1.297 -1.711 0 CA-C-O 121.883 0.849 . . . . 0.0 110.514 178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 5.0 m -79.28 -30.54 43.01 Favored 'General case' 0 C--N 1.283 -2.295 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.85 20.52 11.53 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-O 122.021 0.915 . . . . 0.0 113.0 178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 25.3 mt -90.98 121.26 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 106.956 -1.498 . . . . 0.0 106.956 171.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 20.2 m -70.62 130.92 43.07 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.404 0.621 . . . . 0.0 110.703 -177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -109.18 12.53 8.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.892 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.188 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.23 154.89 7.74 Favored Glycine 0 N--CA 1.43 -1.705 0 C-N-CA 119.448 -1.358 . . . . 0.0 114.079 176.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.1 mmtt -92.92 150.01 20.86 Favored 'General case' 0 C--N 1.296 -1.745 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.406 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -52.92 128.81 28.33 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.36 0.412 . . . . 0.0 110.331 171.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -147.91 152.98 38.48 Favored 'General case' 0 CA--C 1.475 -1.927 0 N-CA-C 105.332 -2.099 . . . . 0.0 105.332 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.587 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -131.0 17.87 5.06 Favored 'General case' 0 C--N 1.279 -2.487 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -173.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -88.96 88.17 7.49 Favored 'General case' 0 C--N 1.267 -2.994 0 C-N-CA 119.549 -0.86 . . . . 0.0 110.766 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.56 HD13 HD23 ' D' 1590 ' ' LEU . 38.9 tp -82.46 129.43 34.9 Favored 'General case' 0 C--N 1.29 -2.003 0 CA-C-N 114.616 -1.175 . . . . 0.0 108.756 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.564 ' HA ' HG21 ' D' 1518 ' ' VAL 0.25 0.0 OUTLIER -132.62 139.17 47.65 Favored 'General case' 0 C--N 1.305 -1.329 0 C-N-CA 118.882 -1.127 . . . . 0.0 112.639 177.014 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -80.94 121.44 26.02 Favored 'General case' 0 C--N 1.307 -1.243 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.424 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -142.01 92.82 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.944 0 CA-C-O 121.733 0.777 . . . . 0.0 109.162 -174.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.5 t70 57.18 62.03 2.35 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.051 -1.432 . . . . 0.0 111.26 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 73.15 -9.04 1.2 Allowed 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 113.859 -1.519 . . . . 0.0 112.36 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.424 ' HB ' ' O ' ' D' 1584 ' ' VAL . 94.9 t -100.87 156.84 4.25 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.089 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 8.2 mt -120.45 124.05 44.49 Favored 'General case' 0 C--N 1.269 -2.911 0 N-CA-C 103.999 -2.593 . . . . 0.0 103.999 172.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.605 ' HA ' ' O ' ' D' 1610 ' ' ILE . 26.5 tt0 -123.27 137.46 54.85 Favored 'General case' 0 C--N 1.265 -3.096 0 C-N-CA 117.168 -1.813 . . . . 0.0 111.919 -174.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.56 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -118.19 153.41 33.9 Favored 'General case' 0 C--N 1.287 -2.11 0 CA-C-N 113.421 -1.718 . . . . 0.0 106.615 -177.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1609 ' ' VAL . 53.7 t -143.16 133.21 21.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.687 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 23.1 m-85 -114.98 93.03 4.13 Favored 'General case' 0 N--CA 1.398 -3.074 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.454 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 3.4 ttpm? -95.65 176.14 6.27 Favored 'General case' 0 C--N 1.28 -2.446 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 -177.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 25.2 m-20 65.82 41.72 3.74 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 125.22 1.575 . . . . 0.0 111.114 175.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.29 -150.92 0.06 OUTLIER Glycine 0 C--N 1.303 -1.283 0 CA-C-N 113.95 -1.477 . . . . 0.0 112.032 172.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 67.0 m -79.82 145.95 63.17 Favored Pre-proline 0 C--N 1.268 -2.967 0 O-C-N 121.884 -0.774 . . . . 0.0 110.388 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' D' 1604 ' ' LEU . 50.9 Cg_exo -47.79 123.4 8.36 Favored 'Trans proline' 0 C--N 1.36 1.153 0 C-N-CA 123.73 2.953 . . . . 0.0 111.695 176.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 48.1 t -95.9 139.8 22.0 Favored Pre-proline 0 C--N 1.295 -1.775 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.376 -173.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -56.88 -30.09 84.21 Favored 'Trans proline' 0 C--N 1.359 1.12 0 C-N-CA 124.075 3.183 . . . . 0.0 113.805 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 16.1 m -61.39 -20.08 62.63 Favored 'General case' 0 C--N 1.296 -1.755 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.584 ' HB2' HD23 ' D' 1604 ' ' LEU . 8.6 mmtm -155.11 -158.79 0.87 Allowed 'General case' 0 C--N 1.291 -1.936 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 48.7 m -141.48 107.12 5.08 Favored 'General case' 0 N--CA 1.42 -1.928 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.23 7.75 39.89 Favored Glycine 0 CA--C 1.476 -2.39 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.584 HD23 ' HB2' ' D' 1601 ' ' LYS . 51.4 tp -102.63 162.1 13.2 Favored 'General case' 0 N--CA 1.383 -3.776 0 CA-C-N 111.917 -2.142 . . . . 0.0 107.649 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.431 ' H ' HD12 ' D' 1604 ' ' LEU . 8.8 m -147.14 168.29 22.01 Favored 'General case' 0 C--N 1.26 -3.284 0 N-CA-C 107.561 -1.274 . . . . 0.0 107.561 -170.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -83.07 158.72 22.34 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.76 159.97 42.0 Favored 'General case' 0 C--N 1.289 -2.049 0 CA-C-O 121.571 0.7 . . . . 0.0 109.881 171.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.48 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -100.37 151.66 21.25 Favored 'General case' 0 C--N 1.264 -3.145 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.089 172.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.456 HG22 HG22 ' D' 1591 ' ' VAL . 3.0 t -131.98 105.09 9.09 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.956 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 168.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.605 ' O ' ' HA ' ' D' 1589 ' ' GLN . 41.0 mt -99.89 91.57 2.28 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.647 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 -178.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.53 ' O ' ' HA ' ' D' 1639 ' ' SER . 14.3 p -90.86 100.03 12.96 Favored 'General case' 0 C--N 1.276 -2.602 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.403 ' CZ ' HD13 ' D' 1529 ' ' LEU . 96.2 m-85 -75.35 120.89 21.42 Favored 'General case' 0 CA--C 1.467 -2.241 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 91.8 t -109.74 123.48 65.66 Favored 'Isoleucine or valine' 1 C--N 1.24 -4.188 0 CA-C-N 114.732 -1.122 . . . . 0.0 108.3 -173.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.606 ' HB3' ' O ' ' D' 1645 ' ' ALA . 5.9 p -68.32 108.37 3.19 Favored 'General case' 0 C--N 1.277 -2.561 0 CA-C-N 114.091 -1.413 . . . . 0.0 110.636 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.482 ' HG3' ' H ' ' D' 1617 ' ' GLU . 26.7 tpt180 -140.82 126.4 11.26 Favored Pre-proline 0 C--N 1.277 -2.577 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.77 -19.16 64.35 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 121.808 1.672 . . . . 0.0 110.909 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.482 ' H ' ' HG3' ' D' 1615 ' ' ARG . 18.3 mt-10 -85.42 131.37 34.4 Favored 'General case' 0 N--CA 1.432 -1.345 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . 0.442 ' HB1' HD21 ' D' 1622 ' ' ASN . . . -97.56 156.09 16.67 Favored 'General case' 0 C--N 1.246 -3.915 0 CA-C-N 114.408 -1.269 . . . . 0.0 108.753 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -77.67 166.97 53.58 Favored Glycine 0 C--N 1.295 -1.719 0 C-N-CA 119.375 -1.393 . . . . 0.0 110.438 174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -66.78 -37.26 21.31 Favored 'Trans proline' 0 CA--C 1.496 -1.386 0 C-N-CA 123.514 2.81 . . . . 0.0 108.551 176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 86.5 m -108.69 -34.1 6.8 Favored 'General case' 0 C--N 1.281 -2.406 0 CA-C-N 112.634 -2.075 . . . . 0.0 110.626 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . 0.442 HD21 ' HB1' ' D' 1618 ' ' ALA . 39.7 m-80 70.75 73.14 0.2 Allowed 'General case' 0 CA--C 1.485 -1.534 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.355 -170.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 46.7 mtt180 -111.34 154.91 43.51 Favored Pre-proline 0 C--N 1.287 -2.124 0 CA-C-N 113.761 -1.563 . . . . 0.0 109.858 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -72.98 114.82 4.14 Favored 'Trans proline' 0 N--CA 1.435 -1.935 0 C-N-CA 121.84 1.693 . . . . 0.0 107.864 167.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 53.7 ttm -82.33 112.46 19.33 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.487 -174.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 57.9 tp -71.28 101.48 2.35 Favored 'General case' 0 N--CA 1.429 -1.487 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 20.1 pt -77.82 -43.35 28.95 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.791 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 47.8 t -150.54 136.01 18.02 Favored 'General case' 0 N--CA 1.413 -2.31 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.842 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.5 tp -95.58 118.39 32.19 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.062 -1.829 . . . . 0.0 106.062 169.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 6.0 t70 -99.91 97.46 8.35 Favored 'General case' 0 CA--C 1.462 -2.412 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 27.4 ttpp -80.41 -9.67 59.75 Favored 'General case' 0 C--N 1.277 -2.561 0 C-N-CA 119.398 -0.921 . . . . 0.0 110.381 -174.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -78.74 -31.25 46.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.847 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 19.4 p -119.69 -0.87 10.67 Favored 'General case' 0 CA--C 1.473 -2.004 0 CA-C-O 121.846 0.831 . . . . 0.0 109.172 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 11.9 m 61.93 44.46 8.31 Favored 'General case' 0 N--CA 1.401 -2.919 0 CA-C-N 112.559 -2.11 . . . . 0.0 111.4 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 4.2 m -111.36 127.31 55.62 Favored 'General case' 0 C--N 1.264 -3.138 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.613 -174.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -99.64 106.36 18.3 Favored 'General case' 0 N--CA 1.417 -2.104 0 N-CA-C 106.579 -1.637 . . . . 0.0 106.579 174.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -85.52 108.88 18.13 Favored 'General case' 0 N--CA 1.409 -2.524 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.85 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.461 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.7 m-85 -107.72 139.73 41.85 Favored 'General case' 0 C--N 1.282 -2.34 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.53 ' HA ' ' O ' ' D' 1611 ' ' SER . 64.8 m -128.25 106.45 9.04 Favored 'General case' 0 C--N 1.25 -3.718 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.554 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -91.93 106.43 18.45 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 -178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 38.2 m80 -84.57 108.78 17.51 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 105.598 -2.001 . . . . 0.0 105.598 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.554 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 10.2 t -148.55 147.05 23.92 Favored Pre-proline 0 N--CA 1.389 -3.483 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.627 -174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' D' 1642 ' ' THR . 25.8 Cg_exo -70.27 -7.42 21.17 Favored 'Trans proline' 0 C--N 1.316 -1.162 0 C-N-CA 123.674 2.916 . . . . 0.0 110.916 172.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . 0.521 HD11 ' O ' ' D' 1528 ' ' ASP . 0.2 OUTLIER -62.24 -39.12 91.81 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 177.811 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.606 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.97 13.76 21.82 Favored 'General case' 0 CA--C 1.505 -0.761 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.4 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 44.5 t -121.53 161.48 22.25 Favored 'General case' 0 N--CA 1.389 -3.487 0 N-CA-C 107.076 -1.453 . . . . 0.0 107.076 -172.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 176.67 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.257 -3.429 0 N-CA-C 105.281 -2.118 . . . . 0.0 105.281 -175.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -65.85 -63.29 1.12 Allowed 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.754 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -58.8 -39.14 80.22 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.268 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 57.3 m -71.42 -18.83 62.31 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.138 -177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 53.2 tptt -97.06 -35.3 10.87 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.09 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -90.56 74.25 6.78 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.671 -177.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.247 -3.851 0 CA-C-N 119.337 0.971 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 C--O 1.241 0.648 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -83.19 -23.97 32.63 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 122.73 1.253 . . . . 0.0 107.742 178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.77 -173.19 3.63 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 112.597 -2.092 . . . . 0.0 107.057 174.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.419 ' C ' ' H ' ' D' 1515 ' ' ASP . 31.3 m80 -146.43 -88.39 0.1 Allowed 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -93.94 19.02 9.53 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.419 ' H ' ' C ' ' D' 1513 ' ' HIS . 13.9 m-20 67.58 168.57 0.25 Allowed 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 127.177 2.191 . . . . 0.0 110.598 -173.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.434 ' HB3' ' HB2' ' D' 1553 ' ' CYS . 12.6 p 53.41 16.59 0.91 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.528 1.531 . . . . 0.0 113.222 -175.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' D' 1527 ' ' PHE . 92.4 mt-30 -133.56 129.35 36.92 Favored 'General case' 0 N--CA 1.427 -1.62 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 -177.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.459 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.3 p -129.13 135.02 62.94 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 C-N-CA 118.661 -1.216 . . . . 0.0 109.954 172.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.3 134.3 44.57 Favored 'General case' 0 C--N 1.261 -3.244 0 CA-C-N 114.587 -1.188 . . . . 0.0 113.34 -177.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 14.8 m120 -58.59 133.41 85.83 Favored Pre-proline 0 N--CA 1.437 -1.098 0 N-CA-C 106.372 -1.714 . . . . 0.0 106.372 167.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -92.22 -7.3 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 N-CA-C 107.948 -1.597 . . . . 0.0 107.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 13.4 m -93.88 -35.6 12.62 Favored 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 112.872 -1.967 . . . . 0.0 113.23 -176.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 47.6 p -119.47 -28.83 5.26 Favored 'General case' 0 C--N 1.289 -2.04 0 CA-C-O 122.148 0.975 . . . . 0.0 108.822 -178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 92.56 14.0 56.12 Favored Glycine 1 N--CA 1.395 -4.086 0 CA-C-N 114.047 -1.433 . . . . 0.0 111.951 178.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -76.37 138.68 40.57 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 8.3 tt -100.88 134.69 43.49 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 56.8 m-85 -107.26 138.79 42.8 Favored 'General case' 0 CA--C 1.464 -2.346 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -130.06 137.6 50.31 Favored 'General case' 0 C--N 1.262 -3.219 0 C-N-CA 118.808 -1.157 . . . . 0.0 110.23 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.566 ' HG ' HD22 ' D' 1581 ' ' LEU . 33.5 mt -110.17 14.29 22.88 Favored 'General case' 0 C--N 1.271 -2.809 0 N-CA-C 106.981 -1.488 . . . . 0.0 106.981 173.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.618 ' HA ' ' OG ' ' D' 1533 ' ' SER . 2.4 m -67.98 -29.45 68.47 Favored 'General case' 0 CA--C 1.496 -1.108 0 CA-C-O 121.704 0.764 . . . . 0.0 109.895 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 20.2 m -70.18 -11.79 61.14 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-N 114.735 -1.121 . . . . 0.0 109.761 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.447 HD12 ' HB3' ' D' 1529 ' ' LEU . 68.5 mt -105.51 -17.54 14.39 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.53 177.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.618 ' OG ' ' HA ' ' D' 1530 ' ' SER . 18.6 m -65.05 166.89 8.68 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -172.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 130.11 174.42 13.69 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.245 -0.978 . . . . 0.0 112.174 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.563 ' HG2' ' N ' ' D' 1557 ' ' GLU . 47.7 ttt180 -91.6 -18.55 23.87 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 123.48 0.165 . . . . 0.0 111.243 -176.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.13 -47.6 56.98 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.697 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.16 -158.35 48.27 Favored Glycine 0 N--CA 1.426 -2.008 0 CA-C-N 114.737 -1.119 . . . . 0.0 115.238 171.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -124.19 -174.66 3.05 Favored 'General case' 0 N--CA 1.433 -1.308 0 CA-C-O 121.161 0.505 . . . . 0.0 110.733 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 14.1 p -132.93 170.02 15.95 Favored 'General case' 0 C--N 1.27 -2.888 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.332 -176.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -151.61 156.56 40.69 Favored 'General case' 0 C--N 1.289 -2.05 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.03 133.93 46.06 Favored 'General case' 0 C--N 1.282 -2.346 0 C-N-CA 120.461 -0.496 . . . . 0.0 110.339 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 22.5 t80 -110.36 96.02 5.94 Favored 'General case' 0 C--O 1.259 1.589 0 N-CA-C 106.274 -1.75 . . . . 0.0 106.274 177.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 60.46 -147.64 0.45 Allowed 'General case' 0 N--CA 1.42 -1.973 0 CA-C-N 114.259 -1.337 . . . . 0.0 108.295 -173.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -106.57 -3.35 20.86 Favored 'General case' 0 C--N 1.284 -2.283 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 14.9 pttp -107.21 -19.49 13.58 Favored 'General case' 0 CA--C 1.472 -2.054 0 CA-C-N 114.476 -1.238 . . . . 0.0 110.16 -164.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.451 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -152.01 172.52 31.32 Favored Glycine 0 N--CA 1.423 -2.185 0 C-N-CA 118.568 -1.777 . . . . 0.0 113.707 178.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.34 169.11 18.2 Favored 'General case' 0 C--N 1.284 -2.257 0 CA-C-N 115.447 -0.376 . . . . 0.0 111.05 175.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 34.2 t -110.8 151.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -129.51 115.3 17.25 Favored 'General case' 0 CA--C 1.455 -2.706 0 N-CA-C 105.073 -2.195 . . . . 0.0 105.073 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 15.1 ptp -141.38 154.72 45.8 Favored 'General case' 0 N--CA 1.396 -3.172 0 C-N-CA 118.532 -1.267 . . . . 0.0 110.028 -175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.697 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -101.13 169.97 8.57 Favored 'General case' 1 C--N 1.227 -4.749 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.862 171.088 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.553 ' HA ' ' HH ' ' D' 1592 ' ' TYR . 48.4 mm -117.18 124.7 73.34 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.902 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 173.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.434 ' HB2' ' HB3' ' D' 1516 ' ' CYS . 4.7 t 78.87 -43.26 0.33 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 124.187 0.929 . . . . 0.0 113.145 177.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.23 -172.26 19.47 Favored Glycine 0 N--CA 1.413 -2.89 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 -175.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.554 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.5 OUTLIER -80.64 162.17 24.34 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 117.344 0.572 . . . . 0.0 109.521 176.615 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.497 ' HB2' ' N ' ' D' 1551 ' ' SER . 12.2 t-20 -103.52 146.71 28.12 Favored 'General case' 0 C--N 1.284 -2.258 0 O-C-N 124.276 0.985 . . . . 0.0 110.78 -176.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.563 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -75.06 -18.31 60.32 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -174.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -93.53 -6.1 47.52 Favored 'General case' 0 C--N 1.277 -2.552 0 CA-C-O 123.279 1.514 . . . . 0.0 107.1 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.605 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 92.6 m -104.17 160.29 26.56 Favored Pre-proline 0 N--CA 1.408 -2.535 0 CA-C-N 112.369 -2.196 . . . . 0.0 108.052 177.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.5 Cg_exo -73.2 156.74 51.04 Favored 'Trans proline' 0 C--O 1.246 0.913 0 C-N-CA 121.671 1.581 . . . . 0.0 108.027 173.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -56.18 105.09 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.144 1.896 . . . . 0.0 111.875 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 134.46 -31.01 2.82 Favored Glycine 0 N--CA 1.426 -2.007 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.348 -177.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 68.9 t -90.32 132.32 35.25 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.467 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -178.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.411 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.69 -7.29 29.85 Favored Glycine 0 N--CA 1.414 -2.832 0 C-N-CA 119.829 -1.176 . . . . 0.0 111.477 -173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.18 129.89 9.24 Favored 'General case' 0 C--N 1.288 -2.071 0 CA-C-O 120.631 0.253 . . . . 0.0 111.039 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.523 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.2 t -144.87 178.66 7.86 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 178.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -101.4 144.37 30.29 Favored 'General case' 0 C--N 1.29 -1.992 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.78 -0.65 83.59 Favored Glycine 0 CA--C 1.486 -1.725 0 N-CA-C 108.803 -1.719 . . . . 0.0 108.803 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.451 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 7.9 tt0 -91.75 -58.99 2.24 Favored 'General case' 0 N--CA 1.419 -2.005 0 CA-C-N 113.467 -1.367 . . . . 0.0 109.78 -178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 18.0 p -109.8 -19.03 13.29 Favored 'General case' 0 C--N 1.274 -2.706 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' D' 1571 ' ' ARG . 0.1 OUTLIER 65.98 29.12 10.33 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 122.741 1.258 . . . . 0.0 109.681 -176.192 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 57.2 mt -91.05 113.06 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.505 0 CA-C-N 113.085 -1.87 . . . . 0.0 106.797 170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 19.5 m -64.2 126.28 27.24 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.584 0.707 . . . . 0.0 111.079 -177.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.8 m -109.98 18.1 7.1 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.062 -176.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 155.89 151.13 5.81 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.915 -1.612 . . . . 0.0 113.173 175.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 47.5 mtmt -97.0 157.42 15.91 Favored 'General case' 0 C--N 1.288 -2.087 0 O-C-N 122.82 -0.224 . . . . 0.0 111.081 178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.479 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.75 128.19 17.54 Favored 'General case' 0 CA--C 1.511 -0.553 0 O-C-N 123.926 0.766 . . . . 0.0 111.748 173.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -148.62 138.52 22.23 Favored 'General case' 0 CA--C 1.468 -2.211 0 N-CA-C 106.93 -1.508 . . . . 0.0 106.93 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -126.89 20.52 7.02 Favored 'General case' 0 C--N 1.272 -2.767 0 CA-C-O 122.505 1.145 . . . . 0.0 110.693 -173.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -90.79 84.12 5.8 Favored 'General case' 0 C--N 1.268 -2.94 0 CA-C-N 113.806 -1.543 . . . . 0.0 109.517 179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.578 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.9 tp -83.07 124.97 30.95 Favored 'General case' 0 N--CA 1.431 -1.391 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.233 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.459 ' HA ' HG21 ' D' 1518 ' ' VAL . 5.3 ppt_? -135.36 153.11 51.94 Favored 'General case' 0 N--CA 1.414 -2.236 0 C-N-CA 117.36 -1.736 . . . . 0.0 110.223 174.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.54 120.21 25.66 Favored 'General case' 0 C--N 1.287 -2.119 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -174.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.617 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.9 t -131.69 93.87 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.304 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -172.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 29.6 t70 61.52 47.79 6.33 Favored 'General case' 0 N--CA 1.491 1.577 0 CA-C-O 122.293 1.044 . . . . 0.0 111.095 172.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 72.26 1.63 4.02 Favored 'General case' 0 N--CA 1.496 1.842 0 C-N-CA 125.312 1.445 . . . . 0.0 112.401 -178.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.617 ' HB ' ' O ' ' D' 1584 ' ' VAL . 82.0 t -104.12 160.23 4.88 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.189 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 176.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.578 ' HB3' HD11 ' D' 1581 ' ' LEU . 8.3 mt -120.84 129.61 53.61 Favored 'General case' 0 C--N 1.271 -2.839 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 172.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.611 ' HA ' ' O ' ' D' 1610 ' ' ILE . 24.6 tt0 -135.03 137.6 43.11 Favored 'General case' 0 C--N 1.283 -2.285 0 C-N-CA 116.21 -2.196 . . . . 0.0 113.985 -172.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 21.8 mt -111.98 150.9 29.91 Favored 'General case' 0 CA--C 1.473 -2.014 0 CA-C-N 114.278 -1.328 . . . . 0.0 108.727 176.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1609 ' ' VAL . 77.5 t -138.06 111.26 7.49 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.776 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.621 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.0 m-30 -92.64 93.96 8.77 Favored 'General case' 0 N--CA 1.385 -3.719 0 N-CA-C 105.738 -1.949 . . . . 0.0 105.738 178.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.518 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 19.4 ptpt -96.78 178.67 5.23 Favored 'General case' 0 C--N 1.296 -1.739 0 CA-C-N 116.726 -0.215 . . . . 0.0 111.447 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.412 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 1.2 m-20 59.99 45.34 12.25 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.188 1.555 . . . . 0.0 112.186 179.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.3 -155.68 0.23 Allowed Glycine 0 C--N 1.294 -1.772 0 CA-C-N 114.757 -1.111 . . . . 0.0 111.397 171.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 13.7 p -84.77 147.86 49.87 Favored Pre-proline 0 C--N 1.266 -3.04 0 O-C-N 121.3 -1.118 . . . . 0.0 109.399 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -45.01 120.32 2.89 Favored 'Trans proline' 0 C--N 1.367 1.533 0 C-N-CA 123.827 3.018 . . . . 0.0 111.949 179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' D' 1600 ' ' SER . 50.3 t -86.08 131.73 45.77 Favored Pre-proline 0 N--CA 1.419 -2.008 0 CA-C-N 115.348 -0.842 . . . . 0.0 112.55 -172.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 50.9 Cg_exo -61.7 -30.07 84.6 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.232 2.621 . . . . 0.0 112.631 176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . 0.435 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 32.1 t -65.22 -12.99 57.08 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-N 114.865 -1.061 . . . . 0.0 113.425 -174.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.618 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -159.98 -160.07 0.77 Allowed 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 -178.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.618 ' H ' ' HG3' ' D' 1601 ' ' LYS . 53.7 m -140.68 109.76 6.14 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 118.295 0.498 . . . . 0.0 110.091 -176.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 99.9 20.32 16.87 Favored Glycine 0 CA--C 1.468 -2.882 0 N-CA-C 108.564 -1.815 . . . . 0.0 108.564 174.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.451 HD23 ' HB3' ' D' 1601 ' ' LYS . 45.1 tp -121.28 177.34 5.21 Favored 'General case' 1 N--CA 1.363 -4.783 0 CA-C-N 111.908 -2.146 . . . . 0.0 107.567 -177.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.446 ' H ' HD12 ' D' 1604 ' ' LEU . 66.4 m -160.28 176.5 11.64 Favored 'General case' 0 C--N 1.252 -3.636 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 -173.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -92.15 149.93 21.21 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 120.099 -0.64 . . . . 0.0 110.813 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.518 ' CB ' ' HA ' ' D' 1593 ' ' LYS . 17.6 pttm -143.17 166.64 24.13 Favored 'General case' 0 N--CA 1.413 -2.281 0 C-N-CA 118.75 -1.18 . . . . 0.0 110.38 171.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.621 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.6 m -105.56 154.33 20.54 Favored 'General case' 1 C--N 1.238 -4.258 0 CA-C-N 113.019 -1.901 . . . . 0.0 111.199 178.354 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.484 HG22 HG22 ' D' 1591 ' ' VAL . 3.1 t -134.21 103.53 5.04 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 167.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.4 mt -97.23 91.65 2.69 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.658 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.447 ' O ' ' HA ' ' D' 1639 ' ' SER . 50.1 p -91.5 102.96 15.63 Favored 'General case' 0 C--N 1.278 -2.525 0 C-N-CA 119.844 -0.742 . . . . 0.0 109.366 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.8 m-85 -77.19 115.4 16.94 Favored 'General case' 0 CA--C 1.469 -2.137 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 92.5 t -103.18 131.12 52.25 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.37 0 CA-C-N 114.366 -1.288 . . . . 0.0 108.5 -173.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.2 p -68.58 96.02 0.68 Allowed 'General case' 0 C--N 1.283 -2.3 0 CA-C-N 114.225 -1.352 . . . . 0.0 111.926 -178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.442 ' HG2' ' H ' ' D' 1617 ' ' GLU . 71.9 ttt180 -126.84 113.96 22.3 Favored Pre-proline 0 N--CA 1.417 -2.122 0 N-CA-C 106.346 -1.724 . . . . 0.0 106.346 177.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -67.62 -6.02 15.65 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.208 1.938 . . . . 0.0 111.82 178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.442 ' H ' ' HG2' ' D' 1615 ' ' ARG . 11.8 mt-10 -101.1 147.61 26.02 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 104.474 -2.417 . . . . 0.0 104.474 172.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -95.47 171.14 8.87 Favored 'General case' 0 C--N 1.263 -3.195 0 C-N-CA 119.464 -0.894 . . . . 0.0 110.503 -178.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -80.34 -176.59 50.18 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.562 -0.827 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -73.28 -39.22 2.21 Favored 'Trans proline' 0 CA--C 1.502 -1.124 0 C-N-CA 122.799 2.333 . . . . 0.0 109.358 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 95.2 m -117.99 -37.37 3.41 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.11 -1.859 . . . . 0.0 110.792 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.6 m-80 82.19 67.21 0.02 OUTLIER 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 125.324 1.449 . . . . 0.0 109.03 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -126.31 159.47 62.58 Favored Pre-proline 0 C--N 1.282 -2.364 0 CA-C-N 112.482 -2.145 . . . . 0.0 109.392 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -65.22 113.38 2.4 Favored 'Trans proline' 0 N--CA 1.432 -2.141 0 C-N-CA 121.156 1.238 . . . . 0.0 108.959 172.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.3 ttm -83.42 106.07 14.87 Favored 'General case' 0 C--N 1.28 -2.421 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.62 -177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 61.5 tp -61.87 113.25 2.67 Favored 'General case' 0 N--CA 1.424 -1.763 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.734 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.5 mt -68.37 -60.75 2.15 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.869 0 N-CA-C 106.812 -1.551 . . . . 0.0 106.812 174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 22.2 t -179.38 171.19 1.3 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.481 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 44.4 tp -94.62 127.3 40.48 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.173 -0.921 . . . . 0.0 109.604 177.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 14.5 t70 -87.97 102.13 14.43 Favored 'General case' 0 CA--C 1.465 -2.315 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 173.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 62.3 tttt -77.9 -3.77 43.41 Favored 'General case' 0 C--N 1.28 -2.44 0 C-N-CA 120.237 -0.585 . . . . 0.0 111.059 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -85.75 -32.06 22.06 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.316 0.579 . . . . 0.0 111.096 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 35.1 p -124.97 4.01 8.01 Favored 'General case' 0 CA--C 1.477 -1.852 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 55.2 m 49.68 56.26 8.14 Favored 'General case' 0 N--CA 1.398 -3.054 0 CA-C-N 112.444 -2.162 . . . . 0.0 112.371 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 15.4 m -114.95 122.67 46.98 Favored 'General case' 0 C--N 1.273 -2.739 0 CA-C-N 113.611 -1.632 . . . . 0.0 109.951 -175.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.68 104.84 16.92 Favored 'General case' 0 N--CA 1.413 -2.277 0 N-CA-C 106.419 -1.696 . . . . 0.0 106.419 174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -81.98 109.25 16.15 Favored 'General case' 0 N--CA 1.408 -2.549 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.105 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.447 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.8 m-85 -109.27 140.83 42.4 Favored 'General case' 0 C--N 1.283 -2.291 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.447 ' HA ' ' O ' ' D' 1611 ' ' SER . 53.7 p -127.47 110.51 12.82 Favored 'General case' 0 C--N 1.256 -3.494 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.377 174.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.489 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.4 t90 -95.0 103.58 15.44 Favored 'General case' 0 C--N 1.271 -2.822 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -85.73 105.1 16.02 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 106.567 -1.642 . . . . 0.0 106.567 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.489 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.2 t -141.31 147.42 46.75 Favored Pre-proline 0 N--CA 1.399 -2.989 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.838 -172.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.605 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 48.4 Cg_exo -63.72 -15.06 46.58 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.918 3.079 . . . . 0.0 111.367 172.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.1 -38.62 76.77 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.47 177.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -93.06 9.67 34.82 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -173.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.605 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 23.3 p -108.58 137.73 46.05 Favored 'General case' 1 CA--C 1.419 -4.079 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.804 -174.536 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.522 ' HA ' ' OE1' ' D' 1647 ' ' GLU . 3.5 tp10 -166.17 -24.81 0.03 OUTLIER 'General case' 0 C--N 1.259 -3.327 0 O-C-N 126.09 2.119 . . . . 0.0 110.717 -174.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.466 ' O ' ' HG3' ' D' 1652 ' ' GLU . 15.0 mm100 -74.69 -57.27 4.03 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.68 67.49 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 124.814 1.245 . . . . 0.0 113.018 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' D' 1647 ' ' GLU . 16.4 p -73.76 -20.97 60.35 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 122.249 1.023 . . . . 0.0 109.428 -176.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.9 mptt -97.18 -7.16 33.11 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-N 113.549 -1.659 . . . . 0.0 111.469 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' D' 1648 ' ' GLN . 42.2 mt-10 -93.83 -66.04 0.95 Allowed 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -178.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.112 0 CA-C-N 118.801 0.728 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.247 0.953 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 m-20 75.87 109.45 0.07 Allowed 'General case' 0 C--N 1.314 -0.948 0 C-N-CA 125.521 1.528 . . . . 0.0 112.428 177.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' D' 1512 ' ' GLU . 1.1 pm0 -68.8 166.75 16.91 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 114.551 -1.204 . . . . 0.0 109.589 173.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -128.72 -100.08 0.34 Allowed 'General case' 0 CA--C 1.499 -0.993 0 C-N-CA 117.608 -1.637 . . . . 0.0 113.067 -170.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 25.7 t70 -89.23 8.74 28.77 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 174.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.494 ' CG ' HH21 ' D' 1580 ' ' ARG . 5.2 m-20 79.72 167.17 0.18 Allowed 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 112.422 -2.172 . . . . 0.0 110.886 -177.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.57 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.0 m 60.26 7.77 1.36 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.353 1.861 . . . . 0.0 111.452 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.547 ' HA ' ' O ' ' D' 1527 ' ' PHE . 48.3 mt-30 -142.55 129.75 20.96 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 123.768 0.827 . . . . 0.0 109.618 -172.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.406 HG21 ' N ' ' D' 1583 ' ' TYR . 7.8 p -139.29 150.09 22.93 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 CA-C-O 121.364 0.602 . . . . 0.0 109.812 177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 2.5 p -110.07 137.47 47.78 Favored 'General case' 0 C--N 1.268 -2.953 0 CA-C-N 114.854 -1.066 . . . . 0.0 113.837 -175.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.488 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -57.92 135.46 83.59 Favored Pre-proline 0 CA--C 1.513 -0.463 0 N-CA-C 106.581 -1.637 . . . . 0.0 106.581 164.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.474 ' CD ' ' H ' ' D' 1522 ' ' SER . 18.8 Cg_endo -90.59 -13.82 2.17 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.705 -1.69 . . . . 0.0 107.705 174.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.474 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.1 p -93.27 -21.53 19.54 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-N 111.909 -2.405 . . . . 0.0 111.864 -174.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 34.5 m -127.78 -28.6 2.69 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.278 -175.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.45 18.07 76.6 Favored Glycine 0 N--CA 1.415 -2.72 0 CA-C-N 114.717 -1.129 . . . . 0.0 111.166 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.488 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 39.5 t-80 -92.19 132.31 36.74 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 114.397 -0.901 . . . . 0.0 109.543 -177.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.409 HD21 ' HB3' ' D' 1517 ' ' GLN . 7.3 tt -93.43 137.28 32.88 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.547 ' O ' ' HA ' ' D' 1517 ' ' GLN . 85.1 m-85 -111.91 140.03 46.91 Favored 'General case' 0 CA--C 1.478 -1.808 0 N-CA-C 107.366 -1.346 . . . . 0.0 107.366 176.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . 0.46 ' CB ' ' HG2' ' D' 1517 ' ' GLN . 2.5 p-10 -132.66 129.15 38.47 Favored 'General case' 0 C--N 1.275 -2.638 0 CA-C-O 121.65 0.738 . . . . 0.0 110.275 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.576 HD13 ' CZ ' ' D' 1612 ' ' PHE . 19.6 mt -110.26 7.26 23.07 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.778 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.519 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.3 p -72.6 -13.97 61.5 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.876 0.846 . . . . 0.0 111.324 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 2.7 p -80.64 -10.11 59.75 Favored 'General case' 0 N--CA 1.427 -1.601 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.394 173.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.424 HD12 ' HB3' ' D' 1529 ' ' LEU . 83.6 mt -102.18 -17.3 16.04 Favored 'General case' 0 N--CA 1.439 -0.998 0 CA-C-N 114.623 -1.172 . . . . 0.0 108.961 176.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.519 ' OG ' ' HA ' ' D' 1530 ' ' SER . 50.5 m -63.71 172.73 2.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.352 -0.84 . . . . 0.0 113.249 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 135.6 -177.23 19.61 Favored Glycine 0 N--CA 1.424 -2.154 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.512 ' HB3' ' HB2' ' D' 1557 ' ' GLU . 50.0 mmm-85 -91.03 -13.83 32.5 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 117.592 0.696 . . . . 0.0 109.788 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -71.23 -53.22 15.14 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.907 177.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.564 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 66.75 -162.27 45.46 Favored Glycine 0 C--N 1.296 -1.644 0 CA-C-N 114.892 -1.049 . . . . 0.0 113.263 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -126.36 -177.72 4.08 Favored 'General case' 0 CA--C 1.484 -1.587 0 C-N-CA 120.048 -0.661 . . . . 0.0 110.446 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 13.5 p -129.63 168.34 16.6 Favored 'General case' 0 C--N 1.273 -2.729 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.945 -173.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -154.11 157.67 39.28 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 104.649 -2.352 . . . . 0.0 104.649 174.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -101.48 124.51 47.27 Favored 'General case' 0 C--N 1.291 -1.967 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.263 -177.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 88.6 t80 -99.26 103.27 15.11 Favored 'General case' 0 N--CA 1.427 -1.605 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 85.7 p 48.72 -129.15 1.93 Allowed 'General case' 0 C--N 1.3 -1.58 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.918 -177.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -108.25 -4.28 17.69 Favored 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.541 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptpt -116.3 -33.37 4.99 Favored 'General case' 0 CA--C 1.477 -1.843 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.187 -165.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.41 170.13 18.26 Favored Glycine 0 C--N 1.264 -3.417 0 C-N-CA 119.047 -1.549 . . . . 0.0 115.522 -171.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 93.0 mt -135.02 149.94 50.23 Favored 'General case' 0 C--N 1.273 -2.752 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 173.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 43.5 t -96.26 142.75 13.39 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.605 0 N-CA-C 107.277 -1.379 . . . . 0.0 107.277 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.473 ' CE2' ' HA2' ' D' 1568 ' ' GLY . 13.0 m-30 -123.46 113.46 18.8 Favored 'General case' 0 CA--C 1.454 -2.735 0 N-CA-C 103.766 -2.679 . . . . 0.0 103.766 177.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.5 ptt? -154.14 136.07 14.6 Favored 'General case' 0 C--N 1.274 -2.694 0 C-N-CA 117.585 -1.646 . . . . 0.0 112.566 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.564 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.5 m -94.65 147.49 23.24 Favored 'General case' 0 C--N 1.253 -3.622 0 C-N-CA 118.067 -1.453 . . . . 0.0 110.875 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.523 HG22 ' SG ' ' D' 1553 ' ' CYS . 51.9 mm -84.77 122.19 37.79 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.638 0 CA-C-N 114.294 -1.321 . . . . 0.0 109.405 -177.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.57 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 2.9 p 51.95 30.51 7.37 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 124.594 1.184 . . . . 0.0 113.285 178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -167.95 172.05 42.55 Favored Glycine 0 CA--C 1.486 -1.752 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.517 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.43 153.55 28.19 Favored 'General case' 0 CA--C 1.49 -1.335 0 CA-C-O 122.154 0.978 . . . . 0.0 111.901 -177.391 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.499 ' O ' ' HB2' ' D' 1559 ' ' CYS . 11.2 t-20 -99.4 151.67 20.83 Favored 'General case' 0 C--N 1.264 -3.118 0 CA-C-N 114.642 -1.163 . . . . 0.0 110.092 -178.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.512 ' HB2' ' HB3' ' D' 1535 ' ' ARG . 9.9 tp10 -76.25 -21.13 56.71 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 121.951 -0.468 . . . . 0.0 112.053 -174.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 8.8 t30 -86.75 -5.88 58.99 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 123.779 1.752 . . . . 0.0 107.31 -178.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.612 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.9 m -106.7 153.21 40.84 Favored Pre-proline 0 N--CA 1.384 -3.737 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.432 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.434 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.36 171.4 17.75 Favored 'Trans proline' 0 CA--C 1.549 1.263 0 C-N-CA 122.529 2.153 . . . . 0.0 108.954 173.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -65.37 105.5 0.74 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.457 1.438 . . . . 0.0 110.295 -177.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.5 -26.5 3.67 Favored Glycine 0 N--CA 1.422 -2.296 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.124 -178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.612 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 74.7 t -93.73 131.91 39.35 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.219 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 -177.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.517 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.41 -9.06 24.21 Favored Glycine 0 N--CA 1.407 -3.269 0 C-N-CA 118.873 -1.632 . . . . 0.0 111.723 -172.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.13 131.44 13.66 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 120.642 0.258 . . . . 0.0 110.958 -174.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.591 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.6 t -150.83 179.2 8.42 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.78 143.05 32.18 Favored 'General case' 0 C--N 1.297 -1.677 0 C-N-CA 120.417 -0.513 . . . . 0.0 109.992 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . 0.473 ' HA2' ' CE2' ' D' 1549 ' ' TYR . . . -69.7 -39.24 77.55 Favored Glycine 0 N--CA 1.435 -1.416 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.796 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -94.78 -44.77 7.62 Favored 'General case' 0 C--N 1.292 -1.916 0 C-N-CA 119.919 -0.712 . . . . 0.0 111.63 178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.49 -29.37 52.55 Favored 'General case' 0 C--N 1.283 -2.284 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 -174.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 15.8 mmt85 64.5 17.61 10.93 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 122.022 0.915 . . . . 0.0 111.286 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 35.5 mt -90.51 116.84 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.637 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.572 175.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 16.6 m -66.06 124.51 22.78 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 121.166 0.507 . . . . 0.0 109.692 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.43 ' HB ' HD13 ' D' 1636 ' ' LEU . 18.9 m -111.48 16.66 7.96 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.203 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.85 151.5 6.12 Favored Glycine 0 N--CA 1.429 -1.767 0 C-N-CA 119.187 -1.483 . . . . 0.0 112.611 176.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.467 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 94.0 mttt -100.39 151.62 21.3 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-N 115.499 -0.35 . . . . 0.0 111.504 178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -53.82 128.33 29.45 Favored 'General case' 0 CA--C 1.51 -0.565 0 C-N-CA 123.278 0.631 . . . . 0.0 111.72 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.01 140.66 24.59 Favored 'General case' 0 CA--C 1.467 -2.223 0 N-CA-C 105.548 -2.019 . . . . 0.0 105.548 177.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.48 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 16.3 ptpt -124.64 19.34 8.7 Favored 'General case' 0 C--N 1.274 -2.678 0 CA-C-O 122.091 0.948 . . . . 0.0 112.169 -171.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.494 HH21 ' CG ' ' D' 1515 ' ' ASP . 4.0 mmp_? -79.54 81.53 5.79 Favored 'General case' 0 C--N 1.278 -2.511 0 CA-C-N 114.007 -1.452 . . . . 0.0 107.777 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.597 HD11 ' HB3' ' D' 1588 ' ' LEU . 39.5 tp -79.69 122.08 26.12 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 177.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.07 147.77 50.53 Favored 'General case' 0 N--CA 1.417 -2.085 0 C-N-CA 119.254 -0.978 . . . . 0.0 110.999 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.406 ' N ' HG21 ' D' 1518 ' ' VAL . 29.1 t80 -89.84 137.48 32.3 Favored 'General case' 0 C--N 1.294 -1.817 0 N-CA-C 106.665 -1.606 . . . . 0.0 106.665 -178.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.499 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -151.82 92.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.4 -2.947 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.9 t70 57.27 59.97 3.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.377 174.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 72.8 -6.94 1.55 Allowed 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 113.755 -1.566 . . . . 0.0 112.297 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.499 ' HB ' ' O ' ' D' 1584 ' ' VAL . 97.4 t -99.48 155.99 3.99 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.855 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.597 ' HB3' HD11 ' D' 1581 ' ' LEU . 5.9 mt -126.28 131.9 51.79 Favored 'General case' 0 C--N 1.27 -2.879 0 N-CA-C 103.47 -2.789 . . . . 0.0 103.47 173.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.619 ' HA ' ' O ' ' D' 1610 ' ' ILE . 18.4 tt0 -134.18 136.18 43.57 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 116.577 -2.049 . . . . 0.0 113.692 -174.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.415 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 20.1 mt -110.93 155.74 22.22 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-N 114.326 -1.306 . . . . 0.0 108.808 176.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' D' 1608 ' ' SER . 55.8 t -142.32 128.94 18.87 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.695 0 N-CA-C 106.478 -1.675 . . . . 0.0 106.478 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.534 ' O ' ' HA ' ' D' 1607 ' ' LYS . 22.5 m-30 -112.15 93.73 4.59 Favored 'General case' 0 N--CA 1.387 -3.609 0 N-CA-C 106.033 -1.839 . . . . 0.0 106.033 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.439 ' HE2' ' OD2' ' D' 1594 ' ' ASP . 17.8 ptmt -92.55 -173.16 3.28 Favored 'General case' 0 C--N 1.282 -2.339 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.439 ' OD2' ' HE2' ' D' 1593 ' ' LYS . 20.7 m-20 60.67 31.51 20.17 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 123.895 0.747 . . . . 0.0 112.26 178.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . 0.455 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -67.14 -159.42 0.95 Allowed Glycine 0 CA--C 1.534 1.258 0 N-CA-C 111.291 -0.724 . . . . 0.0 111.291 175.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 15.3 p -61.76 147.05 89.85 Favored Pre-proline 0 C--N 1.285 -2.233 0 O-C-N 121.804 -0.821 . . . . 0.0 109.259 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 79.1 Cg_exo -50.83 126.76 19.3 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 123.053 2.502 . . . . 0.0 112.298 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' D' 1600 ' ' SER . 39.1 t -80.11 116.88 64.51 Favored Pre-proline 0 N--CA 1.439 -0.99 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.25 -177.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -66.54 -30.78 42.74 Favored 'Trans proline' 0 N--CA 1.484 0.957 0 C-N-CA 123.373 2.716 . . . . 0.0 112.504 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . 0.422 ' HB3' ' SG ' ' D' 1598 ' ' CYS . 47.6 t -65.36 -29.43 70.15 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-N 113.936 -1.484 . . . . 0.0 111.689 -177.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.447 ' HB2' HD23 ' D' 1604 ' ' LEU . 39.1 mmtm -133.06 -168.57 2.1 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.472 -174.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 46.4 m -140.04 108.71 5.92 Favored 'General case' 0 N--CA 1.433 -1.316 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.939 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.07 13.58 33.37 Favored Glycine 0 CA--C 1.473 -2.555 0 CA-C-O 123.405 1.558 . . . . 0.0 109.342 174.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.49 HD12 ' H ' ' D' 1605 ' ' SER . 19.5 tp -122.33 160.35 25.54 Favored 'General case' 1 N--CA 1.375 -4.199 0 CA-C-N 111.468 -2.366 . . . . 0.0 108.197 178.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.49 ' H ' HD12 ' D' 1604 ' ' LEU . 20.8 m -140.01 173.65 11.31 Favored 'General case' 0 C--N 1.259 -3.328 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -175.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.701 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 65.9 m-85 -70.98 140.72 50.95 Favored 'General case' 0 CA--C 1.468 -2.21 0 CA-C-N 118.117 0.417 . . . . 0.0 111.902 -178.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' D' 1592 ' ' TYR . 10.9 ptmt -135.63 164.74 27.17 Favored 'General case' 0 N--CA 1.418 -2.05 0 C-N-CA 116.243 -2.183 . . . . 0.0 110.628 178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.487 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.4 m -107.39 154.91 20.63 Favored 'General case' 0 C--N 1.258 -3.39 0 CA-C-N 113.721 -1.581 . . . . 0.0 110.801 173.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.5 t -133.54 106.03 8.61 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.366 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 167.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.619 ' O ' ' HA ' ' D' 1589 ' ' GLN . 32.8 mt -101.88 91.57 2.07 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.561 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.518 ' O ' ' HA ' ' D' 1639 ' ' SER . 44.5 p -90.98 103.02 15.78 Favored 'General case' 0 C--N 1.277 -2.547 0 C-N-CA 119.179 -1.008 . . . . 0.0 109.619 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' D' 1529 ' ' LEU . 52.0 m-85 -77.47 127.37 32.41 Favored 'General case' 0 CA--C 1.463 -2.389 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 177.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.2 t -125.29 135.44 64.02 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.929 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -173.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.429 ' HB3' ' O ' ' D' 1645 ' ' ALA . 21.9 p -67.88 125.57 26.7 Favored 'General case' 0 C--N 1.274 -2.685 0 CA-C-N 114.694 -1.139 . . . . 0.0 111.139 -177.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.606 ' HG2' ' H ' ' D' 1617 ' ' GLU . 78.2 ttt180 -142.8 125.48 9.01 Favored Pre-proline 0 C--O 1.193 -1.899 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 174.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -70.16 -10.75 28.96 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 121.072 1.181 . . . . 0.0 111.836 179.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.606 ' H ' ' HG2' ' D' 1615 ' ' ARG . 30.2 mt-10 -100.59 142.23 32.35 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 174.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.85 -178.17 4.01 Favored 'General case' 0 C--N 1.256 -3.458 0 CA-C-N 114.81 -1.086 . . . . 0.0 110.508 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -122.42 160.02 16.94 Favored Glycine 0 N--CA 1.42 -2.429 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 172.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.17 -44.23 5.28 Favored 'Trans proline' 0 CA--C 1.495 -1.468 0 C-N-CA 123.354 2.703 . . . . 0.0 108.609 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 50.1 m -85.43 -54.23 4.7 Favored 'General case' 0 C--N 1.276 -2.602 0 CA-C-N 113.006 -1.906 . . . . 0.0 110.032 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 80.51 79.08 0.04 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 125.954 1.702 . . . . 0.0 107.713 -174.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -112.02 152.62 44.44 Favored Pre-proline 0 C--N 1.3 -1.544 0 CA-C-N 114.177 -1.374 . . . . 0.0 113.005 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' D' 1640 ' ' TRP . 15.5 Cg_exo -70.94 121.47 7.91 Favored 'Trans proline' 0 N--CA 1.438 -1.789 0 C-N-CA 122.504 2.136 . . . . 0.0 108.009 167.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.33 114.53 20.86 Favored 'General case' 0 C--N 1.294 -1.823 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -176.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.7 tp -67.12 113.81 5.37 Favored 'General case' 0 N--CA 1.427 -1.608 0 CA-C-O 121.387 0.613 . . . . 0.0 110.006 179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.494 HD12 ' HB3' ' D' 1637 ' ' PHE . 70.5 mt -70.04 -62.28 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 175.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 37.8 t -174.04 153.97 2.2 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-N 114.298 -1.319 . . . . 0.0 110.496 -176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . 0.429 HD13 ' HG ' ' D' 1636 ' ' LEU . 23.6 tp -95.28 125.13 39.7 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 171.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -92.98 94.61 8.99 Favored 'General case' 0 N--CA 1.41 -2.474 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -75.63 4.35 7.87 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -95.07 -15.35 23.5 Favored 'General case' 0 N--CA 1.426 -1.633 0 CA-C-O 121.58 0.705 . . . . 0.0 109.293 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . 0.439 ' O ' ' HB3' ' D' 1634 ' ' CYS . 23.4 p -123.73 -48.71 1.9 Allowed 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.701 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 20.4 p 128.52 -3.36 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 127.898 2.479 . . . . 0.0 110.233 -177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 6.6 m -76.9 120.5 22.12 Favored 'General case' 0 C--N 1.274 -2.682 0 C-N-CA 119.767 -0.773 . . . . 0.0 113.051 -162.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . 0.43 HD13 ' HB ' ' D' 1574 ' ' VAL . 6.8 mp -86.91 101.94 13.88 Favored 'General case' 0 N--CA 1.429 -1.481 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.494 ' HB3' HD12 ' D' 1627 ' ' ILE . 48.7 m-85 -83.82 112.21 19.9 Favored 'General case' 0 N--CA 1.41 -2.448 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.104 -178.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.471 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.4 m-85 -114.09 144.9 42.38 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.518 ' HA ' ' O ' ' D' 1611 ' ' SER . 39.0 p -131.72 105.81 7.74 Favored 'General case' 0 C--N 1.275 -2.672 0 CA-C-O 121.614 0.721 . . . . 0.0 110.012 172.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -87.88 104.72 16.87 Favored 'General case' 0 C--N 1.283 -2.317 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -177.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.2 m170 -88.51 109.11 19.79 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.577 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.8 t -152.34 151.9 28.22 Favored Pre-proline 0 N--CA 1.411 -2.398 0 O-C-N 123.706 0.629 . . . . 0.0 110.01 -171.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.5 Cg_exo -70.6 -10.15 27.3 Favored 'Trans proline' 0 C--N 1.327 -0.562 0 C-N-CA 124.308 3.339 . . . . 0.0 111.024 171.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -35.33 76.76 Favored 'General case' 0 C--O 1.208 -1.081 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 179.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -104.42 24.18 12.02 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.43 -177.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.42 ' O ' ' HB2' ' D' 1647 ' ' GLU . 25.0 t -125.7 157.88 36.21 Favored 'General case' 0 N--CA 1.386 -3.64 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -173.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' D' 1646 ' ' CYS . 6.6 tp10 170.65 -31.84 0.0 OUTLIER 'General case' 0 C--N 1.266 -3.053 0 O-C-N 125.981 2.051 . . . . 0.0 106.765 -172.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.587 HE21 ' HA ' ' D' 1648 ' ' GLN . 0.0 OUTLIER -80.7 -65.2 1.04 Allowed 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 113.504 -1.68 . . . . 0.0 109.684 178.579 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.85 -8.8 47.06 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 8.6 m -60.91 -17.88 53.46 Favored 'General case' 0 C--N 1.315 -0.901 0 C-N-CA 123.626 0.77 . . . . 0.0 110.43 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' D' 1648 ' ' GLN . 18.7 ptpt -78.85 -8.62 58.99 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.409 -175.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -101.29 89.26 3.71 Favored 'General case' 0 N--CA 1.42 -1.927 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.244 -4.017 0 O-C-N 121.418 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 45.8 m . . . . . 0 N--CA 1.439 -1.001 0 CA-C-O 120.692 0.282 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.53 0.78 0.5 Allowed 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 122.311 1.053 . . . . 0.0 111.674 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' D' 1512 ' ' GLU . 0.6 OUTLIER -85.74 -169.02 2.45 Favored 'General case' 0 C--N 1.277 -2.586 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.527 -176.463 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 43.3 t-80 -116.31 -93.8 0.49 Allowed 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.168 -1.049 . . . . 0.0 108.168 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -103.47 27.97 6.88 Favored 'General case' 0 C--N 1.278 -2.52 0 N-CA-C 105.909 -1.885 . . . . 0.0 105.909 171.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.504 ' HB3' ' O ' ' D' 1579 ' ' LYS . 45.1 m-20 74.95 172.1 0.27 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 112.01 -2.359 . . . . 0.0 111.226 -174.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 18.2 p 54.16 7.11 0.12 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 127.138 2.175 . . . . 0.0 114.538 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' D' 1527 ' ' PHE . 76.8 mt-30 -137.9 131.6 31.21 Favored 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.514 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.2 p -139.83 160.71 26.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.33 148.35 52.67 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.682 0.753 . . . . 0.0 112.761 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.486 ' HB2' ' H ' ' D' 1524 ' ' GLY . 14.6 m120 -58.28 141.12 82.99 Favored Pre-proline 0 N--CA 1.434 -1.231 0 CA-C-N 113.588 -1.642 . . . . 0.0 108.137 172.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -91.62 -4.44 4.08 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 N-CA-C 106.867 -2.013 . . . . 0.0 106.867 175.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 10.5 m -106.9 -21.44 13.02 Favored 'General case' 0 C--N 1.303 -1.418 0 CA-C-N 112.426 -2.17 . . . . 0.0 111.784 -176.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 6.1 m -124.55 -36.61 2.6 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-O 121.743 0.783 . . . . 0.0 109.191 -173.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' D' 1520 ' ' ASN . . . 75.82 33.22 51.73 Favored Glycine 1 N--CA 1.392 -4.3 0 N-CA-C 110.201 -1.159 . . . . 0.0 110.201 -177.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.447 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 13.7 t60 -102.48 122.08 43.63 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 -179.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.405 HD11 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -81.45 125.62 30.67 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 -177.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.479 ' O ' ' HA ' ' D' 1517 ' ' GLN . 78.8 m-85 -103.42 141.71 35.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -130.0 129.12 43.32 Favored 'General case' 0 C--N 1.265 -3.092 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 178.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.53 HD13 ' CZ ' ' D' 1612 ' ' PHE . 36.7 mt -111.52 17.64 19.85 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.518 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.5 m -67.72 -23.43 65.27 Favored 'General case' 0 N--CA 1.441 -0.879 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.709 175.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 22.1 m -73.14 -12.24 60.82 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.506 175.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.548 ' HB3' HD12 ' D' 1552 ' ' ILE . 85.0 mt -105.4 -18.36 14.13 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.074 176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.518 ' OG ' ' HA ' ' D' 1530 ' ' SER . 37.2 m -70.38 173.86 6.37 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 -174.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.58 177.93 15.09 Favored Glycine 0 CA--C 1.492 -1.347 0 C-N-CA 120.154 -1.022 . . . . 0.0 110.927 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.572 ' HG2' ' N ' ' D' 1557 ' ' GLU . 48.1 ttt180 -90.9 -17.25 26.78 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 120.993 0.425 . . . . 0.0 109.952 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -67.85 -51.33 49.61 Favored 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 176.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 70.28 -162.76 53.06 Favored Glycine 0 N--CA 1.435 -1.375 0 CA-C-N 114.455 -1.248 . . . . 0.0 113.787 173.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -126.5 178.4 5.89 Favored 'General case' 0 CA--C 1.477 -1.846 0 C-N-CA 120.068 -0.653 . . . . 0.0 110.264 177.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 23.3 p -134.29 145.56 49.19 Favored 'General case' 0 C--N 1.272 -2.77 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.258 -173.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -124.28 165.74 17.11 Favored 'General case' 0 C--N 1.274 -2.707 0 N-CA-C 107.659 -1.238 . . . . 0.0 107.659 177.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -103.36 122.79 45.56 Favored 'General case' 0 C--N 1.274 -2.683 0 C-N-CA 120.009 -0.676 . . . . 0.0 109.695 -178.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 12.5 t80 -103.32 93.69 5.11 Favored 'General case' 0 N--CA 1.425 -1.716 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . 0.422 ' HB2' ' HG2' ' D' 1545 ' ' LYS . 19.5 m 54.46 -148.65 0.46 Allowed 'General case' 0 N--CA 1.418 -2.059 0 CA-C-N 114.395 -1.275 . . . . 0.0 108.624 -172.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -106.51 1.0 25.09 Favored 'General case' 0 C--N 1.286 -2.17 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -177.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' D' 1543 ' ' SER . 62.6 pttt -111.83 -5.65 14.37 Favored 'General case' 0 CA--C 1.482 -1.67 0 CA-C-N 114.117 -1.401 . . . . 0.0 109.86 -168.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.45 ' HA2' HE21 ' D' 1569 ' ' GLN . . . -154.28 167.22 32.34 Favored Glycine 0 C--N 1.273 -2.942 0 CA-C-N 114.472 -1.24 . . . . 0.0 113.407 179.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.93 152.53 51.08 Favored 'General case' 0 C--N 1.288 -2.079 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 57.4 t -106.33 144.7 15.15 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.162 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -129.35 114.81 16.66 Favored 'General case' 0 CA--C 1.461 -2.453 0 N-CA-C 105.742 -1.947 . . . . 0.0 105.742 -175.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 17.1 ptt? -149.98 142.68 24.61 Favored 'General case' 0 C--N 1.271 -2.823 0 C-N-CA 118.041 -1.463 . . . . 0.0 110.711 -176.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.535 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 4.4 p -97.71 149.79 21.91 Favored 'General case' 1 C--N 1.219 -5.082 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.32 173.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.651 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 35.9 mt -92.87 118.74 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.406 -2.658 0 C-N-CA 119.544 -0.862 . . . . 0.0 111.186 178.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.54 ' HB2' ' CB ' ' D' 1579 ' ' LYS . 2.1 p 72.29 -31.59 0.23 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 127.765 2.426 . . . . 0.0 113.467 177.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -105.16 -177.41 24.36 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.548 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -80.4 159.15 25.77 Favored 'General case' 0 CA--C 1.481 -1.69 0 CA-C-N 117.628 0.714 . . . . 0.0 109.412 177.639 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.517 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 12.6 t-20 -102.04 148.69 25.07 Favored 'General case' 0 C--N 1.282 -2.357 0 CA-C-N 115.351 -0.841 . . . . 0.0 110.281 -176.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.572 ' N ' ' HG2' ' D' 1535 ' ' ARG . 40.2 tt0 -70.04 -25.44 63.56 Favored 'General case' 0 CA--C 1.491 -1.303 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 -174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.613 ' OD1' ' HD2' ' D' 1571 ' ' ARG . 10.6 t-20 -94.0 -3.83 50.69 Favored 'General case' 0 C--N 1.268 -2.966 0 CA-C-O 123.517 1.627 . . . . 0.0 107.34 -176.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.602 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 99.4 m -101.52 155.75 36.0 Favored Pre-proline 0 N--CA 1.395 -3.219 0 CA-C-N 112.154 -2.294 . . . . 0.0 108.201 177.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 15.1 Cg_exo -74.06 159.86 43.75 Favored 'Trans proline' 0 N--CA 1.448 -1.158 0 C-N-CA 121.948 1.765 . . . . 0.0 108.747 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.96 105.21 0.15 Allowed 'Trans proline' 0 C--N 1.352 0.746 0 C-N-CA 122.19 1.927 . . . . 0.0 111.498 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 132.59 -29.47 3.27 Favored Glycine 0 N--CA 1.429 -1.814 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.546 -178.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 69.0 t -91.06 130.32 40.42 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -111.48 -3.17 27.4 Favored Glycine 0 N--CA 1.414 -2.785 0 C-N-CA 119.717 -1.23 . . . . 0.0 111.724 -175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.76 132.75 11.61 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 122.638 -0.331 . . . . 0.0 110.466 -177.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.508 ' SG ' ' HA ' ' D' 1571 ' ' ARG . 14.5 t -152.93 -179.39 7.61 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 107.769 -1.196 . . . . 0.0 107.769 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -101.07 135.45 42.5 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.9 -6.64 82.65 Favored Glycine 0 C--O 1.215 -1.087 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.283 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.45 HE21 ' HA2' ' D' 1546 ' ' GLY . 7.5 tp-100 -99.06 -62.9 1.17 Allowed 'General case' 0 N--CA 1.421 -1.888 0 CA-C-O 122.356 1.074 . . . . 0.0 108.654 177.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.41 -29.12 23.11 Favored 'General case' 0 C--N 1.286 -2.193 0 N-CA-C 115.8 1.778 . . . . 0.0 115.8 -168.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.613 ' HD2' ' OD1' ' D' 1558 ' ' ASN . 0.7 OUTLIER 68.87 25.92 6.01 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 122.547 1.165 . . . . 0.0 111.606 -176.067 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 55.4 mt -90.64 118.89 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.933 0 N-CA-C 106.465 -1.68 . . . . 0.0 106.465 168.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 14.6 m -68.25 131.43 45.36 Favored 'General case' 0 C--N 1.309 -1.155 0 C-N-CA 123.152 0.581 . . . . 0.0 109.907 -176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 31.6 m -114.27 15.76 8.07 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.098 0 CA-C-O 121.536 0.684 . . . . 0.0 110.375 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 164.53 151.94 6.77 Favored Glycine 0 N--CA 1.432 -1.572 0 C-N-CA 119.545 -1.312 . . . . 0.0 113.993 176.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 75.1 mmtt -97.31 152.32 19.02 Favored 'General case' 0 C--N 1.285 -2.23 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.93 130.45 25.41 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 123.546 0.529 . . . . 0.0 111.053 171.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' D' 1553 ' ' CYS . 30.2 m-80 -148.7 135.62 19.93 Favored 'General case' 0 CA--C 1.467 -2.24 0 N-CA-C 105.38 -2.082 . . . . 0.0 105.38 178.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.54 ' CB ' ' HB2' ' D' 1553 ' ' CYS . 0.0 OUTLIER -121.64 11.15 10.49 Favored 'General case' 0 C--N 1.275 -2.639 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -168.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -84.45 85.43 7.4 Favored 'General case' 0 C--N 1.27 -2.859 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.94 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.41 HD11 ' HB3' ' D' 1588 ' ' LEU . 26.8 tp -74.0 126.44 30.51 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.678 177.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.514 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.97 143.94 48.47 Favored 'General case' 0 CA--C 1.494 -1.211 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.029 177.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.483 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 9.9 t80 -86.71 116.9 25.12 Favored 'General case' 0 C--N 1.296 -1.761 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 -179.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.561 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.8 p -137.47 103.49 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.747 0 N-CA-C 109.578 -0.526 . . . . 0.0 109.578 -172.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 37.4 t70 59.26 48.95 9.6 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 122.313 1.054 . . . . 0.0 110.231 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 1.2 mp0 71.63 -6.41 1.43 Allowed 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.561 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.4 t -93.99 159.02 2.86 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 177.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.425 ' O ' ' HD1' ' D' 1612 ' ' PHE . 5.3 mt -117.16 131.65 56.83 Favored 'General case' 0 C--N 1.265 -3.096 0 N-CA-C 102.378 -3.193 . . . . 0.0 102.378 171.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.521 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.5 tt0 -135.11 140.0 45.13 Favored 'General case' 0 C--N 1.268 -2.936 0 C-N-CA 116.592 -2.043 . . . . 0.0 112.61 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.411 HD23 ' HA ' ' D' 1590 ' ' LEU . 62.5 mt -118.77 144.33 46.36 Favored 'General case' 0 C--N 1.294 -1.828 0 CA-C-N 113.928 -1.487 . . . . 0.0 107.981 175.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1609 ' ' VAL . 78.6 t -133.81 113.93 19.09 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.488 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -176.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.651 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.1 m-30 -95.85 93.04 6.82 Favored 'General case' 0 N--CA 1.383 -3.812 0 N-CA-C 105.065 -2.198 . . . . 0.0 105.065 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -99.79 179.93 4.37 Favored 'General case' 0 C--N 1.292 -1.913 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 18.6 m-20 65.41 36.47 6.77 Favored 'General case' 0 N--CA 1.476 0.855 0 O-C-N 124.821 1.326 . . . . 0.0 110.542 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -67.2 -157.0 0.62 Allowed Glycine 0 CA--C 1.531 1.036 0 CA-C-N 114.792 -1.095 . . . . 0.0 111.688 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.9 m -71.73 156.4 91.23 Favored Pre-proline 0 C--N 1.282 -2.333 0 O-C-N 121.656 -0.908 . . . . 0.0 109.807 176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 98.4 Cg_exo -47.38 139.07 17.33 Favored 'Trans proline' 0 C--N 1.358 1.062 0 C-N-CA 123.85 3.033 . . . . 0.0 114.42 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 5.0 p -58.21 117.97 23.84 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 114.11 -1.404 . . . . 0.0 111.872 -179.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.479 ' HD2' ' SG ' ' D' 1634 ' ' CYS . 40.6 Cg_endo -65.5 -37.93 27.7 Favored 'Trans proline' 0 CA--C 1.51 -0.71 0 C-N-CA 123.163 2.576 . . . . 0.0 113.216 -174.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 7.2 m -114.38 8.24 16.57 Favored 'General case' 0 C--N 1.275 -2.654 0 CA-C-N 114.382 -1.281 . . . . 0.0 112.547 -172.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . . . . . . . . . 28.4 tttm -141.41 -166.67 2.24 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.996 -1.082 . . . . 0.0 109.255 -176.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 10.3 p -143.11 109.82 5.49 Favored 'General case' 0 C--O 1.241 0.628 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.76 16.89 22.8 Favored Glycine 0 CA--C 1.471 -2.675 0 CA-C-O 123.203 1.446 . . . . 0.0 109.931 171.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' D' 1605 ' ' SER . 21.8 tp -121.47 -177.9 3.66 Favored 'General case' 1 N--CA 1.377 -4.122 0 CA-C-N 112.011 -2.094 . . . . 0.0 107.919 -176.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.446 ' N ' ' HG ' ' D' 1604 ' ' LEU . 43.0 m -158.11 172.93 17.52 Favored 'General case' 0 C--N 1.275 -2.656 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 -176.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -78.5 153.37 31.41 Favored 'General case' 0 CA--C 1.485 -1.536 0 C-N-CA 120.19 -0.604 . . . . 0.0 110.1 178.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -144.64 156.68 44.23 Favored 'General case' 0 C--N 1.28 -2.43 0 C-N-CA 119.614 -0.834 . . . . 0.0 109.397 169.112 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.517 ' HB2' ' H ' ' D' 1592 ' ' TYR . 38.7 m -98.26 152.08 19.79 Favored 'General case' 0 C--N 1.264 -3.115 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.037 171.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.525 HG22 HG22 ' D' 1591 ' ' VAL . 3.2 t -131.45 97.15 2.84 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.81 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 169.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.7 mp -94.06 93.39 3.99 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.547 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.5 m -87.56 101.89 14.07 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.53 ' CZ ' HD13 ' D' 1529 ' ' LEU . 84.0 m-85 -77.36 115.6 17.27 Favored 'General case' 0 CA--C 1.483 -1.621 0 N-CA-C 106.557 -1.646 . . . . 0.0 106.557 176.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 84.5 t -104.4 127.32 58.83 Favored 'Isoleucine or valine' 0 C--N 1.246 -3.917 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.482 -172.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.562 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.5 p -68.25 100.16 1.0 Allowed 'General case' 0 N--CA 1.406 -2.626 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.59 177.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.529 ' HG3' ' H ' ' D' 1617 ' ' GLU . 24.8 tpt180 -141.25 123.0 9.15 Favored Pre-proline 0 N--CA 1.409 -2.476 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.8 -13.4 34.2 Favored 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 121.999 1.8 . . . . 0.0 111.345 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' D' 1615 ' ' ARG . 48.5 mm-40 -90.33 135.08 33.9 Favored 'General case' 0 N--CA 1.424 -1.732 0 CA-C-O 121.992 0.901 . . . . 0.0 108.61 175.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.09 -162.04 0.92 Allowed 'General case' 0 C--N 1.248 -3.828 0 CA-C-N 113.766 -1.561 . . . . 0.0 108.644 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -129.54 168.51 21.04 Favored Glycine 0 C--N 1.291 -1.941 0 N-CA-C 108.581 -1.807 . . . . 0.0 108.581 175.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -62.7 -38.97 46.18 Favored 'Trans proline' 0 CA--C 1.5 -1.202 0 C-N-CA 123.305 2.67 . . . . 0.0 108.066 178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 67.1 m -107.75 -36.34 6.43 Favored 'General case' 0 C--N 1.283 -2.285 0 CA-C-N 112.441 -2.163 . . . . 0.0 110.228 177.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . 0.502 ' CG ' ' HE1' ' D' 1640 ' ' TRP . 2.1 t-20 67.91 74.3 0.3 Allowed 'General case' 0 N--CA 1.424 -1.754 0 C-N-CA 125.649 1.58 . . . . 0.0 107.299 -176.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 79.5 mtt-85 -107.92 166.03 11.68 Favored Pre-proline 0 C--N 1.306 -1.301 0 CA-C-N 113.595 -1.639 . . . . 0.0 109.847 177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.478 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 38.2 Cg_endo -70.86 113.92 3.71 Favored 'Trans proline' 0 N--CA 1.44 -1.669 0 N-CA-C 108.175 -1.51 . . . . 0.0 108.175 167.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 87.5 mmm -84.72 114.06 21.77 Favored 'General case' 0 C--N 1.29 -1.988 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.18 -174.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 57.1 tp -62.97 113.32 3.02 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-O 121.071 0.463 . . . . 0.0 110.752 -179.569 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.508 HD11 ' HB3' ' D' 1639 ' ' SER . 23.4 mt -75.48 -54.94 12.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 CA-C-N 114.834 -1.076 . . . . 0.0 108.886 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 41.2 t -160.76 147.92 15.55 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-N 114.003 -1.453 . . . . 0.0 111.969 -174.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 32.8 tp -103.36 108.28 19.46 Favored 'General case' 0 N--CA 1.427 -1.604 0 N-CA-C 106.345 -1.724 . . . . 0.0 106.345 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.61 96.14 7.15 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.552 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -16.9 64.29 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.266 178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -61.03 -31.68 71.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.386 176.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.8 p -133.08 4.73 3.79 Favored 'General case' 0 C--N 1.293 -1.871 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 -175.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' D' 1599 ' ' PRO . 61.1 m 52.78 48.48 22.39 Favored 'General case' 0 N--CA 1.419 -1.994 0 CA-C-N 113.575 -1.648 . . . . 0.0 112.086 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.423 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.4 m -110.89 131.1 55.34 Favored 'General case' 0 C--N 1.267 -2.981 0 CA-C-N 114.584 -1.189 . . . . 0.0 110.382 -175.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.5 mp -99.0 101.14 12.43 Favored 'General case' 0 N--CA 1.419 -2.002 0 N-CA-C 106.503 -1.665 . . . . 0.0 106.503 171.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.432 ' HB3' HD12 ' D' 1627 ' ' ILE . 41.6 m-85 -82.22 110.34 17.32 Favored 'General case' 0 N--CA 1.417 -2.107 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 -177.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.6 m-85 -111.47 147.89 34.33 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.508 ' HB3' HD11 ' D' 1627 ' ' ILE . 52.1 p -131.96 106.97 8.38 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-O 121.484 0.659 . . . . 0.0 109.978 172.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.502 ' HE1' ' CG ' ' D' 1622 ' ' ASN . 3.6 t90 -91.16 101.22 13.95 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.7 m170 -81.33 105.29 12.4 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.459 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -139.42 144.27 39.22 Favored Pre-proline 0 N--CA 1.395 -3.198 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 -174.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.718 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 49.5 Cg_exo -63.77 -13.67 38.37 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 123.705 2.937 . . . . 0.0 111.522 173.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 18.1 mt -62.81 -39.75 95.26 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.878 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.562 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -89.37 5.52 44.76 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -173.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.718 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 21.9 p -116.15 153.24 32.16 Favored 'General case' 0 CA--C 1.427 -3.756 0 N-CA-C 107.586 -1.264 . . . . 0.0 107.586 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -173.61 -31.47 0.01 OUTLIER 'General case' 0 C--N 1.265 -3.104 0 O-C-N 125.233 1.583 . . . . 0.0 109.22 -172.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -69.44 -56.53 7.16 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.616 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.65 78.82 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.818 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 5.1 m -68.07 -21.14 65.0 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 113.935 -1.484 . . . . 0.0 110.046 -177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -81.36 -28.75 34.3 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.6 -1.182 . . . . 0.0 109.89 -179.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -109.24 -106.14 0.35 Allowed 'General case' 0 C--N 1.285 -2.212 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.625 -173.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.142 0 CA-C-N 119.759 1.163 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . 0.423 ' HB3' ' OE2' ' D' 1512 ' ' GLU . 20.5 m . . . . . 0 N--CA 1.438 -1.074 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -116.88 -0.73 12.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 122.883 1.325 . . . . 0.0 108.291 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.423 ' OE2' ' HB3' ' D' 1510 ' ' SER . 1.3 mp0 -79.93 167.85 19.97 Favored 'General case' 0 N--CA 1.422 -1.829 0 CA-C-N 113.431 -1.713 . . . . 0.0 109.04 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -124.01 -89.65 0.58 Allowed 'General case' 0 C--N 1.305 -1.368 0 C-N-CA 120.425 -0.51 . . . . 0.0 110.353 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.77 13.63 13.89 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 171.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' D' 1517 ' ' GLN . 51.7 m-20 66.51 -179.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 126.982 2.113 . . . . 0.0 111.802 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 6.1 m 65.95 18.78 11.15 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.223 1.809 . . . . 0.0 110.828 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' D' 1515 ' ' ASP . 25.1 pt20 -155.86 145.0 20.66 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.053 -0.976 . . . . 0.0 109.477 -174.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.481 ' HB ' ' O ' ' D' 1581 ' ' LEU . 5.1 p -153.71 153.61 8.44 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 C-N-CA 119.76 -0.776 . . . . 0.0 112.252 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.494 HG22 ' N ' ' D' 1526 ' ' LEU 0.275 0.7 OUTLIER -116.72 155.85 28.17 Favored 'General case' 0 N--CA 1.415 -2.202 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -175.915 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.716 ' HB3' ' N ' ' D' 1524 ' ' GLY . 40.7 t-20 -100.89 129.24 27.78 Favored Pre-proline 0 C--N 1.282 -2.332 1 N-CA-C 99.113 -4.403 . . . . 0.0 99.113 150.502 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.466 ' HD2' ' OD1' ' D' 1520 ' ' ASN . 91.2 Cg_endo -83.7 -9.09 10.14 Favored 'Trans proline' 0 C--N 1.292 -2.414 0 C-N-CA 121.497 1.465 . . . . 0.0 108.434 -171.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 6.8 m -106.94 -43.86 4.55 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.044 -1.889 . . . . 0.0 114.068 -173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 17.2 m -140.21 -5.88 1.25 Allowed 'General case' 0 N--CA 1.413 -2.315 0 C-N-CA 119.378 -0.929 . . . . 0.0 110.755 -165.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . 0.716 ' N ' ' HB3' ' D' 1520 ' ' ASN . . . -152.49 56.03 0.44 Allowed Glycine 3 CA--C 1.419 -5.962 0 C-N-CA 116.929 -2.557 . . . . 0.0 111.59 -162.573 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -26.75 173.41 0.0 OUTLIER 'General case' 1 C--N 1.214 -5.298 1 C-N-CA 132.624 4.37 . . . . 0.0 116.4 179.447 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.494 ' N ' HG22 ' D' 1519 ' ' THR . 3.0 tm? -54.11 112.1 0.9 Allowed 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.427 -1.261 . . . . 0.0 111.755 -175.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' D' 1517 ' ' GLN . 41.3 m-85 -102.56 139.39 38.21 Favored 'General case' 0 N--CA 1.414 -2.255 0 CA-C-N 113.447 -1.706 . . . . 0.0 107.013 175.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.62 116.73 10.53 Favored 'General case' 0 C--N 1.255 -3.539 0 CA-C-O 122.371 1.082 . . . . 0.0 109.703 -176.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.42 ' HB3' HD12 ' D' 1532 ' ' LEU . 40.1 mt -102.52 26.12 8.26 Favored 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 113.926 -1.488 . . . . 0.0 109.945 -173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 19.4 m -68.53 -12.25 61.0 Favored 'General case' 0 C--N 1.31 -1.135 0 C-N-CA 119.471 -0.892 . . . . 0.0 112.39 176.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 8.6 m -74.74 -20.04 59.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.031 0.92 . . . . 0.0 108.854 174.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.42 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.8 mt -98.35 -17.07 19.07 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.611 -1.177 . . . . 0.0 109.149 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 31.3 m -70.24 170.11 12.34 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.36 170.97 13.79 Favored Glycine 0 N--CA 1.435 -1.407 0 C-N-CA 119.91 -1.138 . . . . 0.0 112.035 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.582 ' HA ' ' O ' ' D' 1555 ' ' GLU . 59.8 ttt180 -81.24 -18.63 45.33 Favored 'General case' 0 CA--C 1.504 -0.805 0 C-N-CA 122.43 0.292 . . . . 0.0 110.949 -177.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -61.79 -51.17 69.37 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 176.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.597 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 66.64 -160.88 46.87 Favored Glycine 0 N--CA 1.423 -2.223 0 CA-C-N 114.154 -1.385 . . . . 0.0 113.437 175.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -133.07 -178.26 4.88 Favored 'General case' 0 CA--C 1.473 -2.01 0 C-N-CA 119.437 -0.905 . . . . 0.0 109.821 176.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 25.4 p -117.61 142.26 47.42 Favored 'General case' 0 N--CA 1.391 -3.422 0 CA-C-N 114.976 -1.011 . . . . 0.0 108.878 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -119.97 119.48 33.55 Favored 'General case' 0 C--N 1.262 -3.227 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 176.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -68.07 110.77 4.1 Favored 'General case' 0 C--N 1.284 -2.275 0 C-N-CA 120.22 -0.592 . . . . 0.0 110.817 -177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 78.4 t80 -82.39 95.49 7.66 Favored 'General case' 0 N--CA 1.422 -1.832 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' D' 1545 ' ' LYS . 11.6 m 52.33 -137.62 1.19 Allowed 'General case' 0 C--N 1.29 -2.02 0 CA-C-N 113.759 -1.564 . . . . 0.0 107.425 -172.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -109.75 2.16 19.87 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' D' 1543 ' ' SER . 22.7 pttm -112.2 -33.18 6.3 Favored 'General case' 0 CA--C 1.464 -2.335 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.94 -165.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.78 175.16 18.03 Favored Glycine 0 C--N 1.265 -3.378 0 CA-C-N 114.406 -1.27 . . . . 0.0 113.511 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 95.1 mt -135.3 145.84 47.89 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.51 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 61.1 t -103.84 143.8 15.15 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.743 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 173.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.74 114.37 22.05 Favored 'General case' 0 CA--C 1.444 -3.113 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.2 ptt? -149.54 146.06 27.16 Favored 'General case' 0 N--CA 1.393 -3.293 0 C-N-CA 118.046 -1.462 . . . . 0.0 111.471 -173.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.597 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.1 p -93.0 171.16 9.13 Favored 'General case' 1 C--N 1.234 -4.433 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.178 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.53 ' HB ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -113.24 114.42 46.86 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.941 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 173.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.455 ' HA ' ' O ' ' D' 1578 ' ' ASN . 2.6 p 68.53 -1.24 1.98 Allowed 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 127.862 2.465 . . . . 0.0 113.81 176.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -132.65 -173.13 13.21 Favored Glycine 0 CA--C 1.483 -1.936 0 N-CA-C 109.639 -1.384 . . . . 0.0 109.639 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.582 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -81.2 165.25 21.68 Favored 'General case' 0 CA--C 1.485 -1.521 0 CA-C-N 118.445 1.123 . . . . 0.0 108.813 175.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.495 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 16.7 t-20 -109.14 149.06 29.89 Favored 'General case' 0 C--N 1.276 -2.59 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.738 -177.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.54 ' N ' ' HG2' ' D' 1535 ' ' ARG . 6.8 tp10 -68.25 -21.93 64.8 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 124.377 1.071 . . . . 0.0 113.148 -175.19 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -92.84 -5.94 49.91 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-O 123.337 1.541 . . . . 0.0 107.574 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.621 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.8 m -106.24 156.66 36.5 Favored Pre-proline 0 N--CA 1.401 -2.913 0 CA-C-N 112.609 -2.087 . . . . 0.0 109.631 -177.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 13.1 Cg_exo -74.79 162.92 36.69 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.049 1.833 . . . . 0.0 108.507 174.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -54.8 106.59 0.18 Allowed 'Trans proline' 0 C--O 1.249 1.03 0 C-N-CA 122.608 2.206 . . . . 0.0 112.479 -179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 124.42 -22.05 6.68 Favored Glycine 0 N--CA 1.427 -1.924 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.27 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.621 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 79.7 t -92.21 130.78 40.81 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.418 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -108.85 -7.12 29.73 Favored Glycine 0 N--CA 1.414 -2.799 0 C-N-CA 119.654 -1.26 . . . . 0.0 111.742 -173.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.81 130.51 9.97 Favored 'General case' 0 C--N 1.296 -1.738 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 -178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.457 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.4 t -146.99 178.16 8.58 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.495 ' O ' ' HD3' ' D' 1571 ' ' ARG . 25.5 m-85 -101.81 140.12 36.52 Favored 'General case' 0 C--N 1.31 -1.124 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -71.43 -21.71 78.64 Favored Glycine 0 CA--C 1.503 -0.704 0 O-C-N 123.783 0.677 . . . . 0.0 112.28 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -92.06 -60.86 1.75 Allowed 'General case' 0 N--CA 1.43 -1.441 0 CA-C-O 122.329 1.062 . . . . 0.0 109.882 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . 0.409 HG22 HD13 ' D' 1572 ' ' ILE . 0.3 OUTLIER -81.79 -28.74 33.03 Favored 'General case' 0 C--N 1.277 -2.587 0 CA-C-N 113.661 -1.608 . . . . 0.0 115.198 -168.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 60.88 24.41 14.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.087 0.946 . . . . 0.0 111.985 -175.543 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.409 HD13 HG22 ' D' 1570 ' ' THR . 1.5 mp -90.35 115.68 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.78 0 N-CA-C 106.332 -1.729 . . . . 0.0 106.332 170.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 7.0 m -62.48 122.11 14.94 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-N 115.371 -0.832 . . . . 0.0 109.802 -177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.6 m -102.17 11.62 7.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.761 0 CA-C-O 121.4 0.619 . . . . 0.0 110.771 -178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . 0.436 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 168.15 152.91 7.85 Favored Glycine 0 N--CA 1.419 -2.496 0 C-N-CA 119.92 -1.133 . . . . 0.0 112.427 176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.513 ' HE2' ' HB2' ' D' 1594 ' ' ASP . 54.1 mtmt -105.12 153.45 21.49 Favored 'General case' 0 C--N 1.285 -2.226 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 178.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.49 126.15 12.74 Favored 'General case' 0 C--O 1.243 0.754 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 174.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.455 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.2 m-80 -148.11 142.5 26.32 Favored 'General case' 0 CA--C 1.482 -1.672 0 N-CA-C 105.061 -2.2 . . . . 0.0 105.061 178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.647 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.1 OUTLIER -118.63 12.24 13.05 Favored 'General case' 0 C--N 1.29 -1.995 0 C-N-CA 120.039 -0.664 . . . . 0.0 112.663 -168.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.337 87.0 mtt180 -93.0 86.67 5.5 Favored 'General case' 0 C--N 1.246 -3.901 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.544 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 48.2 tp -67.54 115.55 7.27 Favored 'General case' 0 N--CA 1.421 -1.9 0 CA-C-N 113.271 -1.786 . . . . 0.0 107.46 174.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.57 150.97 39.4 Favored 'General case' 0 C--N 1.297 -1.696 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.629 -177.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.495 ' CZ ' ' HB2' ' D' 1520 ' ' ASN . 32.5 t80 -94.08 128.67 40.6 Favored 'General case' 0 C--N 1.312 -1.056 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -175.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.659 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.6 p -150.38 104.18 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.406 0 C-N-CA 122.687 0.395 . . . . 0.0 110.893 -174.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 60.6 45.81 10.05 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.992 0.901 . . . . 0.0 110.009 177.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 71.69 -3.28 2.21 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 124.72 1.208 . . . . 0.0 111.664 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.659 ' HB ' ' O ' ' D' 1584 ' ' VAL . 49.4 t -94.42 159.69 2.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 178.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 3.8 mt -116.95 135.89 53.36 Favored 'General case' 0 C--N 1.274 -2.709 0 N-CA-C 103.779 -2.674 . . . . 0.0 103.779 173.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.722 ' HA ' ' O ' ' D' 1610 ' ' ILE . 33.7 tt0 -140.57 138.52 34.54 Favored 'General case' 0 C--N 1.277 -2.582 0 C-N-CA 117.813 -1.555 . . . . 0.0 113.599 -174.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.544 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 11.7 mt -110.26 147.91 32.91 Favored 'General case' 0 CA--C 1.463 -2.389 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.224 174.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.516 ' HA ' ' O ' ' D' 1608 ' ' SER . 77.9 t -135.18 105.51 5.81 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.072 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 -178.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.595 ' H ' ' HB2' ' D' 1608 ' ' SER . 21.3 m-30 -88.34 93.91 9.67 Favored 'General case' 0 N--CA 1.386 -3.67 0 N-CA-C 105.811 -1.922 . . . . 0.0 105.811 177.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.448 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 17.9 ptpt -99.47 175.07 5.97 Favored 'General case' 0 C--N 1.281 -2.392 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.608 -174.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.513 ' HB2' ' HE2' ' D' 1576 ' ' LYS . 24.3 m-20 54.6 34.91 22.38 Favored 'General case' 0 CA--C 1.503 -0.834 0 O-C-N 125.791 1.932 . . . . 0.0 111.268 176.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -43.9 -107.31 0.01 OUTLIER Glycine 0 N--CA 1.482 1.763 0 O-C-N 124.988 1.43 . . . . 0.0 114.478 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 47.9 p -111.6 154.5 43.87 Favored Pre-proline 1 C--N 1.227 -4.756 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 167.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -54.41 127.5 26.19 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 121.972 1.782 . . . . 0.0 108.073 173.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.461 ' SG ' ' HB2' ' D' 1600 ' ' SER . 43.6 t -74.5 121.3 84.93 Favored Pre-proline 0 C--N 1.289 -2.034 0 N-CA-C 113.315 0.857 . . . . 0.0 113.315 -171.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -70.77 -20.77 29.65 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.59 2.86 . . . . 0.0 112.905 175.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . 0.461 ' HB2' ' SG ' ' D' 1598 ' ' CYS . 7.4 m -79.05 -21.67 46.51 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.423 -178.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.427 ' HG3' HD23 ' D' 1604 ' ' LEU . 74.0 mmtt -135.96 -165.75 1.76 Allowed 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 47.4 m -143.37 108.5 4.98 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.188 0.518 . . . . 0.0 111.463 178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 101.64 13.42 32.46 Favored Glycine 0 CA--C 1.471 -2.66 0 CA-C-O 123.302 1.501 . . . . 0.0 109.715 172.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.501 HD12 ' H ' ' D' 1605 ' ' SER . 30.0 tp -122.8 172.66 8.29 Favored 'General case' 1 N--CA 1.377 -4.093 0 CA-C-N 111.861 -2.169 . . . . 0.0 108.291 -178.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.501 ' H ' HD12 ' D' 1604 ' ' LEU . 5.5 m -144.44 168.03 21.09 Favored 'General case' 0 C--N 1.27 -2.874 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 -173.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 96.8 m-85 -90.95 151.45 21.08 Favored 'General case' 0 CA--C 1.477 -1.842 0 C-N-CA 119.507 -0.877 . . . . 0.0 109.885 176.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -139.94 155.2 47.26 Favored 'General case' 0 N--CA 1.414 -2.246 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.172 170.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.595 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.1 m -96.49 153.31 17.91 Favored 'General case' 0 C--N 1.257 -3.439 0 CA-C-N 113.921 -1.49 . . . . 0.0 110.029 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.505 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.8 t -133.7 92.9 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.267 -2.989 0 N-CA-C 107.186 -1.413 . . . . 0.0 107.186 170.276 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.722 ' O ' ' HA ' ' D' 1589 ' ' GLN . 44.6 mt -90.22 91.75 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.469 -2.139 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.602 ' HB3' HG11 ' D' 1587 ' ' VAL . 1.2 m -91.65 101.6 14.23 Favored 'General case' 0 C--N 1.276 -2.623 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 -177.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -77.35 121.5 23.84 Favored 'General case' 0 CA--C 1.48 -1.749 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 176.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 61.6 t -107.48 124.68 63.61 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.823 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.943 -172.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.616 ' HB3' ' O ' ' D' 1645 ' ' ALA . 2.3 p -68.24 101.83 1.26 Allowed 'General case' 0 C--N 1.286 -2.173 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.881 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.61 ' HB3' ' OE1' ' D' 1617 ' ' GLU . 16.8 mmm180 -137.44 134.3 18.51 Favored Pre-proline 0 CA--C 1.465 -2.313 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.08 -11.01 30.67 Favored 'Trans proline' 0 N--CA 1.445 -1.346 0 C-N-CA 121.576 1.517 . . . . 0.0 111.475 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.61 ' OE1' ' HB3' ' D' 1615 ' ' ARG 0.274 0.2 OUTLIER -102.56 132.8 48.4 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-O 122.485 1.136 . . . . 0.0 112.94 174.32 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.19 157.7 15.78 Favored 'General case' 0 C--N 1.272 -2.797 0 CA-C-N 113.053 -1.885 . . . . 0.0 108.266 178.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -79.81 159.99 44.52 Favored Glycine 0 N--CA 1.431 -1.678 0 C-N-CA 118.804 -1.665 . . . . 0.0 110.586 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -65.67 -41.22 15.24 Favored 'Trans proline' 0 CA--C 1.497 -1.35 0 C-N-CA 123.611 2.874 . . . . 0.0 108.481 177.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . 0.505 HG22 ' HG2' ' D' 1623 ' ' ARG . 21.2 m -88.88 -38.74 14.33 Favored 'General case' 0 C--N 1.286 -2.188 0 CA-C-N 113.077 -1.874 . . . . 0.0 109.154 177.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 60.1 t30 67.39 66.84 0.39 Allowed 'General case' 0 N--CA 1.434 -1.268 0 C-N-CA 126.761 2.024 . . . . 0.0 109.124 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.505 ' HG2' HG22 ' D' 1621 ' ' THR . 44.7 mmt-85 -122.31 156.76 60.14 Favored Pre-proline 0 C--N 1.299 -1.61 0 CA-C-N 113.306 -1.77 . . . . 0.0 111.96 -179.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -70.6 122.54 8.99 Favored 'Trans proline' 0 N--CA 1.433 -2.031 0 C-N-CA 122.009 1.806 . . . . 0.0 108.929 168.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 25.7 ttt -99.17 138.49 36.19 Favored 'General case' 0 C--N 1.275 -2.644 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.784 -178.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 43.5 tp -72.22 119.36 16.31 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.475 HD12 ' HB3' ' D' 1637 ' ' PHE . 65.2 mt -68.45 -57.19 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.54 -1.281 . . . . 0.0 107.54 175.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 26.3 t -165.79 166.15 17.94 Favored 'General case' 0 N--CA 1.422 -1.855 0 CA-C-N 113.845 -1.525 . . . . 0.0 110.253 -176.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 59.2 tp -113.17 121.83 45.7 Favored 'General case' 0 N--CA 1.426 -1.652 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.068 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.572 ' HB3' ' H ' ' D' 1635 ' ' THR . 66.5 t0 -96.64 96.36 8.58 Favored 'General case' 0 N--CA 1.4 -2.967 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 20.1 tptm -84.59 -11.33 56.22 Favored 'General case' 0 C--N 1.29 -1.985 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 54.3 tp60 -82.73 -35.79 26.36 Favored 'General case' 0 N--CA 1.432 -1.374 0 CA-C-N 114.605 -1.179 . . . . 0.0 111.174 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -129.38 8.14 5.45 Favored 'General case' 0 C--N 1.278 -2.517 0 C-N-CA 118.974 -1.091 . . . . 0.0 108.345 -170.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 17.0 m 56.41 52.27 10.23 Favored 'General case' 0 N--CA 1.412 -2.348 0 CA-C-N 113.027 -1.897 . . . . 0.0 113.252 174.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.572 ' H ' ' HB3' ' D' 1630 ' ' ASP . 2.6 m -115.91 127.55 55.08 Favored 'General case' 0 C--N 1.254 -3.58 0 CA-C-N 113.958 -1.474 . . . . 0.0 109.212 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.0 mp -101.39 104.41 15.38 Favored 'General case' 0 C--N 1.284 -2.257 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.475 ' HB3' HD12 ' D' 1627 ' ' ILE . 49.8 m-85 -84.16 111.54 19.44 Favored 'General case' 0 N--CA 1.407 -2.607 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.344 -176.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.518 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 68.7 m-85 -111.52 150.08 30.46 Favored 'General case' 0 C--N 1.284 -2.271 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 -179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.562 ' HA ' ' O ' ' D' 1611 ' ' SER . 66.5 p -139.31 130.44 26.59 Favored 'General case' 0 C--N 1.28 -2.441 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.78 171.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 4.0 t90 -119.88 105.69 11.33 Favored 'General case' 0 C--N 1.279 -2.493 0 N-CA-C 107.891 -1.151 . . . . 0.0 107.891 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -81.18 113.05 19.07 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 121.579 0.704 . . . . 0.0 109.316 177.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.7 t -142.09 143.76 29.16 Favored Pre-proline 0 N--CA 1.391 -3.415 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.337 -175.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' D' 1642 ' ' THR . 17.3 Cg_exo -72.7 -2.66 12.21 Favored 'Trans proline' 0 C--N 1.321 -0.904 0 C-N-CA 123.917 3.078 . . . . 0.0 111.03 174.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . 0.411 HD12 HD23 ' D' 1529 ' ' LEU . 0.2 OUTLIER -71.55 -34.89 70.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 178.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.616 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -95.64 13.01 27.73 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.897 -177.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 52.5 t -125.32 159.57 31.41 Favored 'General case' 1 CA--C 1.421 -4.012 0 N-CA-C 106.536 -1.653 . . . . 0.0 106.536 -170.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' D' 1651 ' ' LYS . 46.8 tt0 174.0 -43.97 0.01 OUTLIER 'General case' 0 C--N 1.249 -3.785 0 O-C-N 126.025 2.078 . . . . 0.0 108.626 -175.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -53.22 -66.2 0.43 Allowed 'General case' 0 C--N 1.298 -1.646 0 CA-C-N 114.188 -1.369 . . . . 0.0 113.376 -165.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.99 -37.34 72.69 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.19 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 15.3 t -79.41 -6.4 56.77 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.465 -173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' D' 1647 ' ' GLU . 74.5 tttt -95.92 -6.49 39.04 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.229 -177.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -96.32 -86.85 0.31 Allowed 'General case' 0 C--O 1.258 1.513 0 CA-C-O 118.372 -0.823 . . . . 0.0 109.133 178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.241 -4.119 0 CA-C-N 119.777 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 39.2 m . . . . . 0 N--CA 1.433 -1.289 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 35.5 t30 -151.73 -68.11 0.17 Allowed 'General case' 0 CA--C 1.481 -1.676 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 178.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' D' 1517 ' ' GLN . 0.0 OUTLIER -101.32 -165.89 1.25 Allowed 'General case' 1 C--N 1.24 -4.173 0 CA-C-N 112.314 -2.221 . . . . 0.0 108.301 174.28 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -142.0 -79.32 0.24 Allowed 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 118.667 -1.213 . . . . 0.0 110.069 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.02 17.15 24.76 Favored 'General case' 0 C--N 1.283 -2.324 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 176.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 6.1 m-20 71.44 170.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.054 -1.885 . . . . 0.0 109.934 -170.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 3.9 m 59.53 7.25 0.96 Allowed 'General case' 0 N--CA 1.494 1.775 0 C-N-CA 125.721 1.608 . . . . 0.0 112.153 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.552 ' HB3' HD21 ' D' 1526 ' ' LEU . 28.4 mt-30 -139.08 125.52 20.44 Favored 'General case' 0 N--CA 1.425 -1.722 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -172.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.524 HG21 ' N ' ' D' 1583 ' ' TYR . 9.4 p -130.06 143.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.243 0 CA-C-O 121.251 0.548 . . . . 0.0 109.787 -179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.3 p -110.2 136.84 48.79 Favored 'General case' 0 C--N 1.274 -2.685 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -173.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.4 m120 -64.6 135.29 96.3 Favored Pre-proline 0 C--O 1.207 -1.137 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 163.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.401 ' CD ' ' H ' ' D' 1522 ' ' SER . 72.5 Cg_endo -93.46 -4.86 2.93 Favored 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 122.374 2.049 . . . . 0.0 107.966 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.401 ' H ' ' CD ' ' D' 1521 ' ' PRO . 1.7 p -93.79 -16.25 24.34 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 111.977 -2.374 . . . . 0.0 112.718 -177.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 38.2 p -138.09 -34.55 0.65 Allowed 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 122.187 0.994 . . . . 0.0 109.253 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 93.42 11.37 58.38 Favored Glycine 0 N--CA 1.405 -3.4 0 CA-C-N 114.401 -1.272 . . . . 0.0 109.971 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -74.62 116.82 15.75 Favored 'General case' 0 CA--C 1.499 -0.981 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.552 HD21 ' HB3' ' D' 1517 ' ' GLN . 8.2 tt -86.66 136.13 33.15 Favored 'General case' 0 C--N 1.29 -2.013 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.522 ' O ' ' HA ' ' D' 1517 ' ' GLN . 90.5 m-85 -107.46 129.15 54.98 Favored 'General case' 0 CA--C 1.453 -2.788 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 2.6 p30 -127.43 114.61 17.73 Favored 'General case' 0 C--N 1.244 -3.992 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.138 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 38.6 mt -107.87 21.68 17.06 Favored 'General case' 0 C--N 1.292 -1.904 0 CA-C-N 114.762 -1.108 . . . . 0.0 109.504 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.732 ' HA ' ' OG ' ' D' 1533 ' ' SER . 15.3 m -72.81 -13.39 61.29 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.525 0.678 . . . . 0.0 111.241 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 35.2 t -77.03 -14.83 59.78 Favored 'General case' 0 C--N 1.309 -1.167 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 98.5 mt -98.12 -18.21 18.64 Favored 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.89 177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.732 ' OG ' ' HA ' ' D' 1530 ' ' SER . 14.9 m -58.57 169.26 0.96 Allowed 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 123.58 165.38 12.28 Favored Glycine 0 N--CA 1.442 -0.937 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.427 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.562 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -86.13 -13.08 48.23 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.887 0.475 . . . . 0.0 111.257 -176.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -72.35 -42.02 65.79 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.589 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 64.36 -159.65 41.0 Favored Glycine 0 N--CA 1.427 -1.964 0 CA-C-N 113.955 -1.475 . . . . 0.0 115.04 171.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -126.16 -175.12 3.28 Favored 'General case' 0 CA--C 1.485 -1.557 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.036 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 65.0 p -126.9 161.62 27.87 Favored 'General case' 0 C--N 1.282 -2.366 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.061 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -148.25 166.06 29.09 Favored 'General case' 0 C--N 1.29 -1.988 0 N-CA-C 105.633 -1.988 . . . . 0.0 105.633 173.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -109.36 139.0 44.87 Favored 'General case' 0 C--N 1.286 -2.185 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.708 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 85.0 t80 -111.78 98.44 7.4 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 30.8 t 56.35 -142.87 0.74 Allowed 'General case' 0 C--N 1.285 -2.217 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 -174.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.95 -1.38 20.7 Favored 'General case' 0 C--N 1.268 -2.956 0 CA-C-O 121.707 0.765 . . . . 0.0 112.336 -176.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.95 -18.53 9.46 Favored 'General case' 0 CA--C 1.48 -1.743 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.862 -170.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.52 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -128.57 159.56 22.05 Favored Glycine 0 C--N 1.263 -3.5 0 CA-C-N 114.047 -1.433 . . . . 0.0 112.742 -179.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . 0.432 HD12 ' HA3' ' D' 1568 ' ' GLY . 1.5 pp -136.59 163.23 31.04 Favored 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 115.173 -0.513 . . . . 0.0 110.989 171.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 40.8 t -111.73 148.03 15.21 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.362 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 -177.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.41 ' HB2' HD22 ' D' 1558 ' ' ASN . 11.6 m-85 -130.31 114.94 16.24 Favored 'General case' 0 CA--C 1.448 -2.965 0 N-CA-C 105.793 -1.929 . . . . 0.0 105.793 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . 0.457 ' O ' ' HA3' ' D' 1537 ' ' GLY . 11.2 ptt? -145.7 155.31 42.9 Favored 'General case' 0 C--N 1.263 -3.165 0 C-N-CA 118.384 -1.326 . . . . 0.0 109.959 -177.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.589 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 3.0 p -94.13 171.64 8.71 Favored 'General case' 1 C--N 1.241 -4.143 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.166 176.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' D' 1533 ' ' SER . 48.7 mm -110.18 114.91 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 172.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' D' 1578 ' ' ASN 0.263 8.7 p 57.06 16.95 3.15 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.08 1.752 . . . . 0.0 115.173 177.389 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -143.67 -173.73 15.4 Favored Glycine 0 CA--C 1.482 -1.977 0 N-CA-C 108.369 -1.892 . . . . 0.0 108.369 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -81.64 163.1 22.78 Favored 'General case' 0 CA--C 1.485 -1.552 0 CA-C-N 119.318 1.559 . . . . 0.0 110.088 175.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.527 ' O ' ' HB2' ' D' 1559 ' ' CYS . 10.5 t-20 -108.74 152.32 25.0 Favored 'General case' 0 C--N 1.285 -2.196 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.159 -177.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.562 ' N ' ' HG2' ' D' 1535 ' ' ARG . 33.5 tt0 -74.9 -18.29 60.44 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 -174.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.41 HD22 ' HB2' ' D' 1549 ' ' TYR . 18.1 t30 -85.52 -14.57 45.51 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 123.728 1.728 . . . . 0.0 106.904 177.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 80.3 m -102.33 155.78 36.07 Favored Pre-proline 0 N--CA 1.384 -3.767 0 CA-C-N 112.141 -2.299 . . . . 0.0 108.998 -175.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 9.5 Cg_exo -75.56 165.85 29.68 Favored 'Trans proline' 0 C--O 1.253 1.252 0 C-N-CA 121.757 1.638 . . . . 0.0 108.446 173.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . 0.5 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 38.1 Cg_exo -60.45 105.09 0.28 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 121.768 1.646 . . . . 0.0 111.243 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 136.22 -31.09 2.65 Favored Glycine 0 N--CA 1.422 -2.236 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.692 -178.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.1 t -93.26 132.97 35.96 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.421 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -113.17 -5.13 23.51 Favored Glycine 0 N--CA 1.42 -2.383 0 C-N-CA 119.667 -1.254 . . . . 0.0 111.935 -173.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.62 129.62 9.5 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 122.785 -0.244 . . . . 0.0 110.347 -177.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.437 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 14.0 t -148.57 -177.44 5.78 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -101.35 146.9 26.97 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . 0.432 ' HA3' HD12 ' D' 1547 ' ' LEU . . . -72.18 -40.03 56.8 Favored Glycine 0 N--CA 1.429 -1.808 0 O-C-N 123.855 0.722 . . . . 0.0 112.597 -179.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.52 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.4 mp0 -97.43 -39.94 8.93 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-O 121.569 0.699 . . . . 0.0 111.37 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 6.2 m -81.6 -29.67 33.23 Favored 'General case' 0 C--N 1.283 -2.304 0 N-CA-C 114.761 1.393 . . . . 0.0 114.761 -174.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' D' 1571 ' ' ARG . 0.1 OUTLIER 62.1 18.36 9.94 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 122.017 0.913 . . . . 0.0 112.698 177.836 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 14.5 mt -90.49 123.26 42.58 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.918 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 170.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 5.4 m -70.86 126.94 30.96 Favored 'General case' 0 N--CA 1.431 -1.42 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 28.1 m -106.87 15.16 7.55 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.369 0 CA-C-O 121.665 0.745 . . . . 0.0 110.405 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 162.19 153.32 7.08 Favored Glycine 0 N--CA 1.416 -2.673 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.535 175.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' D' 1594 ' ' ASP . 48.9 mttp -100.71 156.83 17.11 Favored 'General case' 0 C--N 1.279 -2.458 0 CA-C-N 115.647 -0.277 . . . . 0.0 110.677 176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -50.65 126.42 15.53 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 123.789 0.681 . . . . 0.0 111.27 172.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.513 ' O ' ' HA ' ' D' 1553 ' ' CYS . 42.3 m-80 -148.4 145.37 28.01 Favored 'General case' 0 CA--C 1.462 -2.408 0 N-CA-C 105.045 -2.205 . . . . 0.0 105.045 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.0 OUTLIER -118.92 23.16 11.57 Favored 'General case' 0 C--N 1.277 -2.551 0 CA-C-O 122.401 1.096 . . . . 0.0 111.057 -175.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -86.61 84.89 7.31 Favored 'General case' 0 C--N 1.294 -1.819 0 CA-C-N 113.943 -1.48 . . . . 0.0 109.464 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.669 HD13 HD23 ' D' 1590 ' ' LEU . 35.0 tp -85.39 132.75 34.18 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 174.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.67 151.15 50.81 Favored 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.513 177.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.524 ' N ' HG21 ' D' 1518 ' ' VAL . 11.9 t80 -94.59 137.28 33.9 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.513 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -149.59 92.58 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.004 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 -177.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 35.4 t70 55.93 57.22 5.31 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.301 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.545 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 47.1 mt-30 73.87 -3.83 2.41 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-N 114.081 -1.418 . . . . 0.0 112.818 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' D' 1584 ' ' VAL . 79.7 t -98.23 155.47 3.77 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.695 -1.595 . . . . 0.0 106.695 174.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . . . . . . . . . 4.3 mt -120.05 128.75 53.8 Favored 'General case' 0 C--N 1.263 -3.169 0 N-CA-C 102.989 -2.967 . . . . 0.0 102.989 174.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.562 ' HA ' ' O ' ' D' 1610 ' ' ILE . 30.0 tt0 -128.16 135.58 49.95 Favored 'General case' 0 C--N 1.252 -3.664 0 C-N-CA 117.35 -1.74 . . . . 0.0 111.739 -175.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.669 HD23 HD13 ' D' 1581 ' ' LEU . 0.2 OUTLIER -111.64 153.9 25.69 Favored 'General case' 0 C--N 1.286 -2.161 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.543 HG12 ' HG3' ' D' 1593 ' ' LYS . 92.5 t -142.52 130.57 20.41 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 -179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.593 ' HB2' ' HB2' ' D' 1608 ' ' SER . 21.3 m-85 -108.79 94.11 4.87 Favored 'General case' 0 N--CA 1.403 -2.794 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 177.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.543 ' HG3' HG12 ' D' 1591 ' ' VAL . 8.0 mtpm? -89.47 175.61 7.23 Favored 'General case' 0 C--N 1.289 -2.044 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.371 -176.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' D' 1576 ' ' LYS . 6.2 m-20 56.41 45.8 22.01 Favored 'General case' 0 CA--C 1.481 -1.677 0 O-C-N 125.563 1.789 . . . . 0.0 111.384 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -62.47 -145.68 0.01 OUTLIER Glycine 0 C--N 1.286 -2.197 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.845 171.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 68.8 m -72.44 137.63 80.91 Favored Pre-proline 0 C--N 1.263 -3.168 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -52.3 113.08 1.05 Allowed 'Trans proline' 0 C--N 1.362 1.285 0 C-N-CA 122.386 2.058 . . . . 0.0 108.218 174.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.546 ' HG ' ' HG ' ' D' 1634 ' ' CYS . 47.9 t -64.58 131.84 95.22 Favored Pre-proline 0 N--CA 1.416 -2.125 0 N-CA-C 113.587 0.958 . . . . 0.0 113.587 -168.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' D' 1598 ' ' CYS . 52.6 Cg_exo -65.18 -30.19 55.32 Favored 'Trans proline' 0 CA--C 1.515 -0.456 0 C-N-CA 122.644 2.229 . . . . 0.0 111.855 173.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 15.0 m -84.72 -18.14 36.15 Favored 'General case' 0 C--N 1.289 -2.024 0 CA-C-N 115.009 -0.996 . . . . 0.0 113.01 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.544 ' HB3' HD23 ' D' 1604 ' ' LEU . 0.0 OUTLIER -160.4 144.81 14.28 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 106.76 -1.571 . . . . 0.0 106.76 178.652 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 8.4 t -131.98 120.54 22.6 Favored 'General case' 0 C--N 1.274 -2.687 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -164.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 113.7 -5.4 24.38 Favored Glycine 0 C--N 1.27 -3.12 0 N-CA-C 105.757 -2.937 . . . . 0.0 105.757 -173.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.544 HD23 ' HB3' ' D' 1601 ' ' LYS . 40.9 tp -115.75 173.44 6.55 Favored 'General case' 1 N--CA 1.349 -5.48 0 CA-C-N 109.15 -3.525 . . . . 0.0 105.796 174.041 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 31.5 m -158.74 174.61 14.76 Favored 'General case' 0 C--N 1.247 -3.881 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 -175.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -81.92 147.65 29.16 Favored 'General case' 0 CA--C 1.479 -1.765 0 C-N-CA 118.784 -1.166 . . . . 0.0 108.849 177.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.08 158.29 44.61 Favored 'General case' 0 C--N 1.272 -2.791 0 C-N-CA 118.795 -1.162 . . . . 0.0 109.586 172.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.593 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 44.8 m -102.76 149.76 24.14 Favored 'General case' 0 C--N 1.25 -3.729 0 CA-C-N 114.177 -1.374 . . . . 0.0 110.338 174.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . . . . . . . . . 2.9 t -130.02 103.54 8.69 Favored 'Isoleucine or valine' 0 C--N 1.268 -2.97 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 170.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.562 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.3 mp -98.55 91.3 2.35 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.376 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 -176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.539 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.0 OUTLIER -91.3 105.22 17.63 Favored 'General case' 0 C--N 1.287 -2.144 0 C-N-CA 118.675 -1.21 . . . . 0.0 108.247 -178.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.435 ' CZ ' HD13 ' D' 1529 ' ' LEU . 88.7 m-85 -79.15 120.7 24.04 Favored 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 177.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 95.9 t -111.53 131.12 63.74 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.668 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.351 -172.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.584 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.9 p -68.5 101.27 1.22 Allowed 'General case' 0 C--N 1.285 -2.205 0 C-N-CA 125.671 1.588 . . . . 0.0 110.175 177.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . . . . . . . . . 22.7 tpt180 -139.13 123.29 11.23 Favored Pre-proline 0 C--N 1.276 -2.61 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -62.46 -18.11 61.46 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 122.113 1.876 . . . . 0.0 110.88 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -87.45 134.69 33.56 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.82 172.97 7.54 Favored 'General case' 0 C--N 1.258 -3.374 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.764 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -87.33 166.94 36.96 Favored Glycine 0 N--CA 1.429 -1.791 0 N-CA-C 110.535 -1.026 . . . . 0.0 110.535 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -66.91 -38.32 17.21 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 123.311 2.674 . . . . 0.0 108.781 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . 0.499 ' HB ' ' HG3' ' D' 1623 ' ' ARG . 79.3 m -112.47 -27.29 8.31 Favored 'General case' 0 C--N 1.284 -2.272 0 CA-C-N 112.464 -2.153 . . . . 0.0 109.543 177.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 53.0 m-80 71.57 72.61 0.17 Allowed 'General case' 0 CA--C 1.494 -1.173 0 CA-C-N 114.281 -1.327 . . . . 0.0 109.131 -170.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.499 ' HG3' ' HB ' ' D' 1621 ' ' THR . 32.1 mtt-85 -114.7 160.45 33.26 Favored Pre-proline 0 C--N 1.291 -1.943 0 CA-C-N 113.009 -1.905 . . . . 0.0 108.997 176.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -74.81 113.61 3.83 Favored 'Trans proline' 0 N--CA 1.425 -2.505 0 N-CA-C 106.783 -2.045 . . . . 0.0 106.783 165.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 89.4 mmm -81.22 113.67 19.52 Favored 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.834 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 68.2 tp -65.93 107.24 1.79 Allowed 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 121.088 0.471 . . . . 0.0 110.08 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.512 HD11 ' OG ' ' D' 1639 ' ' SER . 55.9 mt -63.45 -59.68 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.345 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.822 178.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 64.3 m -169.16 157.43 7.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 114.335 -1.302 . . . . 0.0 110.906 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 25.9 tp -97.7 128.35 44.31 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.8 t70 -101.24 106.0 17.17 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -67.6 -27.15 66.67 Favored 'General case' 0 C--N 1.296 -1.743 0 CA-C-O 121.251 0.548 . . . . 0.0 110.705 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -68.57 -29.44 67.98 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.975 -175.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 32.7 p -124.69 -2.29 7.87 Favored 'General case' 0 C--N 1.29 -1.979 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 -177.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.546 ' HG ' ' HG ' ' D' 1598 ' ' CYS . 32.2 m 55.82 46.94 21.28 Favored 'General case' 0 N--CA 1.41 -2.436 0 CA-C-N 113.059 -1.882 . . . . 0.0 111.963 -178.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 7.0 m -111.67 129.84 55.97 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 114.454 -1.248 . . . . 0.0 110.128 -175.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -96.24 106.53 18.74 Favored 'General case' 0 N--CA 1.418 -2.045 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 172.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -85.98 110.26 19.35 Favored 'General case' 0 N--CA 1.416 -2.159 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.363 -176.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.526 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 95.4 m-85 -108.61 148.96 29.58 Favored 'General case' 0 C--N 1.29 -2.017 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.539 ' HA ' ' O ' ' D' 1611 ' ' SER . 73.8 m -138.23 112.76 8.83 Favored 'General case' 0 C--N 1.272 -2.772 0 CA-C-O 121.666 0.746 . . . . 0.0 111.283 170.439 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.5 t90 -93.33 106.48 18.44 Favored 'General case' 0 C--N 1.286 -2.192 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 30.6 m80 -82.77 108.72 16.33 Favored 'General case' 0 C--N 1.296 -1.743 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 9.7 t -141.2 142.59 27.66 Favored Pre-proline 0 N--CA 1.389 -3.487 0 CA-C-O 121.315 0.579 . . . . 0.0 109.923 -175.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.63 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 29.6 Cg_exo -68.7 -5.92 16.59 Favored 'Trans proline' 0 C--N 1.316 -1.18 0 C-N-CA 123.908 3.072 . . . . 0.0 111.405 173.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -37.26 73.89 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.584 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.02 11.8 21.83 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.78 -173.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.63 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 27.8 p -120.71 156.16 32.36 Favored 'General case' 0 CA--C 1.43 -3.642 0 N-CA-C 106.94 -1.504 . . . . 0.0 106.94 -176.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -161.19 -36.21 0.05 OUTLIER 'General case' 1 C--N 1.229 -4.64 0 CA-C-N 113.809 -1.541 . . . . 0.0 107.514 -170.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -87.81 -41.04 13.54 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.738 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' D' 1646 ' ' CYS . . . -54.05 -35.06 61.6 Favored 'General case' 0 C--N 1.307 -1.267 0 C-N-CA 124.569 1.148 . . . . 0.0 113.167 -178.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 2.1 p -78.57 -22.92 46.42 Favored 'General case' 0 C--N 1.294 -1.816 0 CA-C-O 122.825 1.298 . . . . 0.0 109.562 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -86.18 -6.88 58.9 Favored 'General case' 0 C--N 1.284 -2.27 0 CA-C-N 113.193 -1.821 . . . . 0.0 110.554 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -102.79 -82.38 0.49 Allowed 'General case' 0 N--CA 1.423 -1.809 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.182 0 CA-C-N 119.757 1.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.244 0.811 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.3 t-20 80.61 -8.63 1.45 Allowed 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 126.119 1.767 . . . . 0.0 112.218 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.63 -167.71 1.57 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.234 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.47 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 27.6 t-80 -144.86 -87.61 0.11 Allowed 'General case' 0 C--N 1.31 -1.126 0 C-N-CA 118.263 -1.375 . . . . 0.0 111.167 -179.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -101.87 23.97 10.63 Favored 'General case' 0 C--N 1.289 -2.044 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.446 ' O ' ' HG3' ' D' 1517 ' ' GLN . 10.8 m-20 69.95 167.4 0.29 Allowed 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 112.024 -2.353 . . . . 0.0 109.821 -175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.467 ' SG ' ' HB3' ' D' 1530 ' ' SER . 7.4 p 50.21 17.58 0.34 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.864 1.666 . . . . 0.0 113.698 -174.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.708 ' HB3' HD21 ' D' 1526 ' ' LEU . 82.7 mt-30 -135.02 137.91 43.44 Favored 'General case' 0 N--CA 1.417 -2.107 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 -177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.547 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -136.18 152.72 30.54 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 14.8 p -115.55 136.79 52.72 Favored 'General case' 0 N--CA 1.409 -2.505 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -171.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.481 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 16.5 m120 -67.32 132.39 93.26 Favored Pre-proline 0 CA--C 1.502 -0.89 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 164.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' D' 1522 ' ' SER . 10.1 Cg_endo -87.17 -16.65 3.24 Favored 'Trans proline' 0 C--N 1.309 -1.52 0 N-CA-C 107.974 -1.587 . . . . 0.0 107.974 176.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.433 ' H ' ' CD ' ' D' 1521 ' ' PRO . 6.5 m -79.34 -38.96 33.88 Favored 'General case' 0 C--N 1.295 -1.794 0 CA-C-N 112.027 -2.351 . . . . 0.0 112.539 -173.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 35.4 p -122.83 -24.52 4.81 Favored 'General case' 0 C--N 1.281 -2.405 0 CA-C-O 121.733 0.778 . . . . 0.0 109.885 -175.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 84.36 22.31 54.54 Favored Glycine 1 N--CA 1.392 -4.276 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.203 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.481 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 53.0 t-80 -82.07 130.74 35.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 114.841 -0.679 . . . . 0.0 109.634 178.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.708 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.4 tm? -93.48 133.01 37.22 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 -179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' D' 1517 ' ' GLN . 83.7 m-85 -107.96 133.76 51.84 Favored 'General case' 0 CA--C 1.464 -2.355 0 N-CA-C 106.741 -1.577 . . . . 0.0 106.741 174.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -128.65 124.49 35.87 Favored 'General case' 0 C--N 1.256 -3.48 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 177.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.457 ' HB3' HD12 ' D' 1532 ' ' LEU . 64.4 mt -108.24 21.43 17.36 Favored 'General case' 0 C--N 1.282 -2.361 0 CA-C-O 122.089 0.947 . . . . 0.0 108.71 -179.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.685 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 p -67.96 -13.27 62.04 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.895 -1.048 . . . . 0.0 112.677 173.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.1 p -75.08 -22.76 58.09 Favored 'General case' 0 N--CA 1.424 -1.742 0 CA-C-O 121.812 0.815 . . . . 0.0 109.035 173.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.457 HD12 ' HB3' ' D' 1529 ' ' LEU . 81.0 mt -91.92 -19.11 22.8 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.499 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.685 ' OG ' ' HA ' ' D' 1530 ' ' SER . 15.6 m -67.1 168.49 10.08 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.013 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 127.85 174.99 13.92 Favored Glycine 0 CA--C 1.48 -2.103 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -91.45 -15.38 28.95 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-N 117.501 0.65 . . . . 0.0 111.493 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -63.36 -45.58 90.48 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.59 0.71 . . . . 0.0 109.085 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . . . . . . . . . . . 62.35 -166.54 20.27 Favored Glycine 0 CA--C 1.489 -1.537 0 CA-C-N 114.127 -1.397 . . . . 0.0 113.198 176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -124.14 -178.67 4.15 Favored 'General case' 0 CA--C 1.473 -2.002 0 C-N-CA 119.053 -1.059 . . . . 0.0 110.304 177.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 22.8 p -129.46 147.89 51.32 Favored 'General case' 0 C--N 1.273 -2.723 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.977 -173.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -131.64 166.62 21.05 Favored 'General case' 0 C--N 1.276 -2.588 0 N-CA-C 106.61 -1.626 . . . . 0.0 106.61 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -102.83 124.78 48.99 Favored 'General case' 0 C--N 1.286 -2.168 0 C-N-CA 119.994 -0.683 . . . . 0.0 109.597 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 80.3 t80 -94.79 102.29 14.15 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 176.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 34.4 m 56.65 -140.08 0.88 Allowed 'General case' 0 N--CA 1.416 -2.174 0 CA-C-N 114.215 -1.357 . . . . 0.0 108.198 -174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -108.18 -0.81 20.75 Favored 'General case' 0 C--N 1.285 -2.229 0 CA-C-O 121.34 0.59 . . . . 0.0 109.59 -175.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.03 -34.91 6.07 Favored 'General case' 0 CA--C 1.464 -2.361 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.172 -168.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -126.35 -176.73 14.6 Favored Glycine 0 C--N 1.278 -2.681 0 C-N-CA 118.619 -1.753 . . . . 0.0 115.115 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.22 162.28 33.41 Favored 'General case' 0 C--N 1.28 -2.45 0 CA-C-N 113.613 -1.293 . . . . 0.0 110.226 179.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 32.5 t -115.05 153.5 16.53 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.564 0 N-CA-C 107.472 -1.307 . . . . 0.0 107.472 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -129.85 114.25 15.66 Favored 'General case' 0 CA--C 1.458 -2.585 0 N-CA-C 104.694 -2.336 . . . . 0.0 104.694 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.1 ptm -148.93 118.33 6.9 Favored 'General case' 0 C--N 1.27 -2.867 0 C-N-CA 118.982 -1.087 . . . . 0.0 112.163 -171.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.442 ' OG ' ' HB2' ' D' 1556 ' ' ASN . 12.6 p -94.58 146.76 23.9 Favored 'General case' 0 C--N 1.248 -3.843 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.422 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.684 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -83.17 118.94 31.67 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.445 -178.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' D' 1578 ' ' ASN . 1.2 p 72.39 -32.51 0.25 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.012 2.125 . . . . 0.0 113.667 174.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.01 174.6 19.27 Favored Glycine 0 C--N 1.287 -2.194 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.484 ' HA ' ' HA2' ' D' 1564 ' ' GLY . 0.3 OUTLIER -80.52 150.95 29.44 Favored 'General case' 0 CA--C 1.476 -1.877 0 CA-C-O 121.399 0.619 . . . . 0.0 111.373 -178.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.59 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 20.3 t-20 -95.83 150.19 20.69 Favored 'General case' 0 C--N 1.272 -2.801 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.095 -174.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -77.21 -13.42 59.94 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 121.506 0.67 . . . . 0.0 112.287 -173.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 7.1 t30 -91.04 -8.75 48.16 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 123.151 1.453 . . . . 0.0 107.519 178.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.609 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 84.4 m -105.98 155.19 38.8 Favored Pre-proline 0 N--CA 1.388 -3.565 0 CA-C-N 112.481 -2.145 . . . . 0.0 108.46 -176.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.454 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 12.7 Cg_exo -73.92 162.07 39.99 Favored 'Trans proline' 0 N--CA 1.445 -1.372 0 C-N-CA 122.054 1.836 . . . . 0.0 108.577 175.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -49.66 105.83 0.11 Allowed 'Trans proline' 0 C--O 1.251 1.171 0 C-N-CA 123.375 2.716 . . . . 0.0 113.163 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 119.04 -20.59 9.76 Favored Glycine 0 N--CA 1.433 -1.565 0 CA-C-N 115.264 -0.88 . . . . 0.0 113.125 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.609 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 64.6 t -88.18 128.16 40.71 Favored 'Isoleucine or valine' 0 N--CA 1.424 -1.772 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -102.76 -10.79 36.78 Favored Glycine 0 N--CA 1.413 -2.872 0 C-N-CA 119.398 -1.382 . . . . 0.0 112.004 -174.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -151.76 132.83 14.33 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 120.972 0.415 . . . . 0.0 110.949 -177.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.511 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 7.2 t -151.86 179.81 8.12 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -102.0 152.5 20.88 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-O 120.918 0.389 . . . . 0.0 110.175 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -82.61 -17.24 68.79 Favored Glycine 0 CA--C 1.497 -1.037 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.538 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -101.01 -43.77 5.94 Favored 'General case' 0 CA--C 1.487 -1.445 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 17.6 p -99.81 -24.53 14.65 Favored 'General case' 0 C--N 1.27 -2.882 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -175.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.49 25.69 11.83 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 122.349 1.071 . . . . 0.0 110.079 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 78.6 mt -90.41 114.96 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.616 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.231 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 19.7 m -66.88 134.0 51.19 Favored 'General case' 0 C--N 1.307 -1.259 0 C-N-CA 123.535 0.734 . . . . 0.0 110.467 -177.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 29.2 m -115.88 17.4 7.59 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.285 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.207 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.44 152.33 6.52 Favored Glycine 0 N--CA 1.426 -1.977 0 C-N-CA 118.778 -1.677 . . . . 0.0 114.756 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.511 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 71.4 mmtt -92.25 151.3 20.4 Favored 'General case' 0 C--N 1.288 -2.067 0 C-N-CA 123.453 0.701 . . . . 0.0 109.333 176.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.87 129.19 26.1 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.873 0.733 . . . . 0.0 110.457 169.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' D' 1553 ' ' CYS . 29.0 m-80 -147.49 135.79 21.58 Favored 'General case' 0 CA--C 1.462 -2.409 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.546 ' HD3' ' H ' ' D' 1579 ' ' LYS . 0.0 OUTLIER -120.68 18.04 11.95 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 115.419 -0.809 . . . . 0.0 113.092 -164.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . 0.457 82.1 mtt180 -102.43 89.06 3.43 Favored 'General case' 0 C--N 1.249 -3.767 0 N-CA-C 115.313 1.598 . . . . 0.0 115.313 -178.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.454 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 25.3 tp -72.6 131.29 42.26 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 112.516 -2.129 . . . . 0.0 109.437 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.446 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.0 OUTLIER -134.07 144.4 48.61 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.313 176.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.547 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -96.94 128.48 43.95 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -174.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . . . . . . . . . 3.2 p -147.95 92.49 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.399 -3.018 0 CA-C-O 121.67 0.748 . . . . 0.0 109.671 -175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 24.2 t0 55.47 63.04 2.2 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-N 114.706 -1.134 . . . . 0.0 111.702 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.733 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 31.3 mm-40 70.53 2.39 4.06 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-N 113.517 -1.674 . . . . 0.0 112.617 176.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' D' 1612 ' ' PHE . 90.1 t -110.36 152.09 12.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 175.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' D' 1582 ' ' ARG . 6.0 mt -125.58 125.14 42.71 Favored 'General case' 0 C--N 1.268 -2.947 0 N-CA-C 103.902 -2.629 . . . . 0.0 103.902 174.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.618 ' HA ' ' O ' ' D' 1610 ' ' ILE . 36.0 tt0 -127.96 140.59 51.9 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 117.361 -1.736 . . . . 0.0 113.616 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.454 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 29.7 mt -117.89 163.96 15.76 Favored 'General case' 0 CA--C 1.495 -1.172 0 CA-C-N 114.607 -1.179 . . . . 0.0 108.199 175.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1609 ' ' VAL . 54.2 t -143.18 127.29 14.49 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.931 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 177.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.684 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.8 m-30 -109.48 93.63 4.61 Favored 'General case' 0 N--CA 1.394 -3.226 0 N-CA-C 105.014 -2.217 . . . . 0.0 105.014 178.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 22.2 pttp -97.16 -174.92 3.08 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-O 119.567 -0.254 . . . . 0.0 110.349 -176.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.47 ' O ' ' HE2' ' D' 1576 ' ' LYS . 51.7 m-20 60.99 36.28 18.69 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.563 1.165 . . . . 0.0 111.114 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' D' 1605 ' ' SER . . . -64.05 -155.26 0.13 Allowed Glycine 0 CA--C 1.539 1.58 0 CA-C-O 122.26 0.922 . . . . 0.0 113.161 175.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 75.4 m -79.03 155.61 77.34 Favored Pre-proline 0 C--N 1.278 -2.542 0 O-C-N 121.744 -0.857 . . . . 0.0 109.383 177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -45.02 124.76 6.16 Favored 'Trans proline' 0 C--N 1.363 1.319 0 C-N-CA 124.03 3.154 . . . . 0.0 113.45 -179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 52.6 t -94.35 110.56 49.36 Favored Pre-proline 0 C--N 1.309 -1.17 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.063 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -52.67 -27.05 31.88 Favored 'Trans proline' 0 N--CA 1.489 1.252 0 C-N-CA 124.743 3.629 . . . . 0.0 115.186 -178.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 33.9 t -55.8 -25.77 43.06 Favored 'General case' 0 C--N 1.294 -1.831 0 CA-C-N 115.402 -0.817 . . . . 0.0 112.175 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.605 ' HG2' ' H ' ' D' 1602 ' ' SER . 61.9 tttp -145.69 -164.15 1.89 Allowed 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 105.871 -1.9 . . . . 0.0 105.871 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.605 ' H ' ' HG2' ' D' 1601 ' ' LYS . 8.4 t -142.79 112.69 6.99 Favored 'General case' 0 N--CA 1.415 -2.211 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -178.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.47 17.7 16.69 Favored Glycine 0 CA--C 1.48 -2.138 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.537 HD11 ' SG ' ' D' 1634 ' ' CYS . 17.0 tp -120.3 158.63 26.65 Favored 'General case' 0 N--CA 1.381 -3.881 0 CA-C-N 111.769 -2.215 . . . . 0.0 107.412 -178.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.415 ' HB3' ' O ' ' D' 1595 ' ' GLY . 19.7 m -141.35 171.82 13.54 Favored 'General case' 0 C--N 1.27 -2.872 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 -172.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.768 ' HA ' ' HB2' ' D' 1634 ' ' CYS . 67.8 m-85 -86.88 157.07 19.61 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.473 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.01 160.53 39.11 Favored 'General case' 0 CA--C 1.514 -0.435 0 C-N-CA 117.397 -1.721 . . . . 0.0 110.923 172.21 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.2 m -103.03 155.44 18.37 Favored 'General case' 0 C--N 1.277 -2.565 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.651 171.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.496 HG22 HG22 ' D' 1591 ' ' VAL . 2.4 t -129.62 111.15 21.37 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.654 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 167.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.618 ' O ' ' HA ' ' D' 1589 ' ' GLN . 3.0 mp -102.81 91.91 2.1 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.537 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.576 ' O ' ' HA ' ' D' 1639 ' ' SER . 52.2 p -93.04 105.34 17.46 Favored 'General case' 0 C--N 1.28 -2.435 0 C-N-CA 118.982 -1.087 . . . . 0.0 109.411 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' D' 1587 ' ' VAL . 96.5 m-85 -78.95 125.43 29.36 Favored 'General case' 0 CA--C 1.478 -1.815 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 42.4 t -119.24 129.21 75.55 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.666 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 -174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.733 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 5.9 p -68.06 95.67 0.57 Allowed 'General case' 0 C--N 1.286 -2.193 0 C-N-CA 125.473 1.509 . . . . 0.0 110.976 -176.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.462 ' HB3' ' HB3' ' D' 1617 ' ' GLU . 25.8 mmm180 -143.64 124.06 7.81 Favored Pre-proline 0 C--N 1.303 -1.422 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.997 -174.265 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -74.78 -0.7 10.19 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 122.763 2.308 . . . . 0.0 109.376 171.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.462 ' HB3' ' HB3' ' D' 1615 ' ' ARG 0.274 35.3 tt0 -71.98 -12.98 61.49 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 128.917 2.887 . . . . 0.0 110.536 -179.486 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . 0.524 ' CB ' ' HD3' ' D' 1643 ' ' PRO . . . -55.49 168.2 0.42 Allowed 'General case' 0 C--N 1.269 -2.927 0 CA-C-N 112.537 -2.119 . . . . 0.0 112.515 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -115.88 -177.82 18.36 Favored Glycine 0 N--CA 1.416 -2.649 0 C-N-CA 119.155 -1.498 . . . . 0.0 112.424 -175.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.08 -19.28 12.31 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 123.626 2.884 . . . . 0.0 109.996 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 10.7 m -80.0 -62.62 1.63 Allowed 'General case' 0 C--N 1.269 -2.916 0 CA-C-N 112.095 -2.32 . . . . 0.0 109.368 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 26.0 m-80 76.04 82.94 0.09 Allowed 'General case' 0 CA--C 1.489 -1.376 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.397 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 -108.53 142.95 26.5 Favored Pre-proline 0 C--N 1.275 -2.647 0 CA-C-N 113.873 -1.512 . . . . 0.0 112.396 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -69.36 114.86 3.78 Favored 'Trans proline' 0 N--CA 1.444 -1.385 0 C-N-CA 121.979 1.786 . . . . 0.0 107.461 168.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 27.9 ttt -90.16 113.56 25.35 Favored 'General case' 0 N--CA 1.415 -2.186 0 O-C-N 122.344 -0.223 . . . . 0.0 110.505 -173.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . 0.415 HD12 ' O ' ' D' 1637 ' ' PHE . 54.0 tp -57.78 116.7 3.61 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.265 179.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.473 HD12 ' HB3' ' D' 1637 ' ' PHE . 20.6 mt -75.04 -57.43 6.44 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.453 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 177.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.9 p -162.56 163.41 27.33 Favored 'General case' 0 C--N 1.291 -1.956 0 CA-C-N 113.844 -1.526 . . . . 0.0 112.17 -175.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 45.6 tp -114.43 123.38 49.29 Favored 'General case' 0 C--N 1.305 -1.326 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 175.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -99.18 102.12 13.67 Favored 'General case' 0 N--CA 1.416 -2.16 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 176.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 49.4 tptt -84.59 2.96 38.99 Favored 'General case' 0 C--N 1.285 -2.238 0 CA-C-O 121.183 0.516 . . . . 0.0 110.14 -175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -104.02 -23.99 13.27 Favored 'General case' 0 N--CA 1.439 -1.0 0 CA-C-O 121.274 0.559 . . . . 0.0 110.517 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 2.2 p -139.23 25.75 2.44 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.564 0.697 . . . . 0.0 110.212 -177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.768 ' HB2' ' HA ' ' D' 1606 ' ' TYR . 2.9 p 54.62 23.63 4.84 Favored 'General case' 0 CA--C 1.455 -2.702 0 N-CA-C 118.077 2.621 . . . . 0.0 118.077 168.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.473 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 5.1 m -99.27 120.24 39.23 Favored 'General case' 1 C--N 1.193 -6.202 0 C-N-CA 117.127 -1.829 . . . . 0.0 111.719 -173.673 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 7.1 mp -93.33 103.31 15.55 Favored 'General case' 0 N--CA 1.419 -1.992 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 172.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.473 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.3 m-85 -84.39 114.68 22.06 Favored 'General case' 0 C--N 1.277 -2.546 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.03 -176.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -114.77 146.82 40.56 Favored 'General case' 0 C--N 1.29 -2.001 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.576 ' HA ' ' O ' ' D' 1611 ' ' SER . 34.5 p -134.72 114.36 12.61 Favored 'General case' 0 C--N 1.27 -2.857 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 173.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.474 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -95.45 106.8 18.9 Favored 'General case' 0 C--N 1.269 -2.917 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -178.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -77.56 106.93 9.66 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.474 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 8.9 t -145.51 145.86 27.56 Favored Pre-proline 0 N--CA 1.405 -2.714 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -175.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.524 ' HD3' ' CB ' ' D' 1618 ' ' ALA . 12.2 Cg_exo -74.84 -6.67 18.44 Favored 'Trans proline' 0 N--CA 1.441 -1.566 0 C-N-CA 123.566 2.844 . . . . 0.0 110.275 174.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.5 mt -68.99 -31.99 71.23 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-O 121.348 0.594 . . . . 0.0 111.388 177.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.76 12.6 20.8 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.058 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 48.5 t -124.22 160.65 27.46 Favored 'General case' 0 N--CA 1.395 -3.22 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 -174.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 12.5 tp10 177.12 -30.52 0.0 OUTLIER 'General case' 0 C--N 1.261 -3.282 0 O-C-N 125.136 1.523 . . . . 0.0 108.815 -174.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -86.45 -49.57 7.51 Favored 'General case' 0 C--N 1.298 -1.661 0 CA-C-N 114.541 -1.208 . . . . 0.0 109.964 -177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -75.26 -13.23 60.42 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.365 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 27.8 m -69.14 -12.87 62.06 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 122.394 1.092 . . . . 0.0 109.663 -179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -70.16 -49.43 50.63 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-N 113.946 -1.479 . . . . 0.0 112.005 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 7.7 mp0 -104.71 86.13 2.43 Favored 'General case' 0 C--N 1.285 -2.204 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.24 -4.183 0 CA-C-N 119.168 0.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.441 -0.89 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.79 6.5 48.19 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 122.652 1.215 . . . . 0.0 108.195 179.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 69.95 -74.09 0.09 Allowed 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 126.433 1.893 . . . . 0.0 109.047 -175.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.52 ' HB3' ' OE1' ' D' 1517 ' ' GLN . 19.8 t-80 -145.95 -99.14 0.1 Allowed 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 169.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -102.32 20.87 16.05 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 106.353 -1.721 . . . . 0.0 106.353 173.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 68.99 169.22 0.29 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 127.237 2.215 . . . . 0.0 109.038 -170.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 9.0 m 60.07 14.86 4.7 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 124.335 1.054 . . . . 0.0 111.325 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.52 ' OE1' ' HB3' ' D' 1513 ' ' HIS . 94.7 mt-30 -139.26 145.4 39.13 Favored 'General case' 0 N--CA 1.42 -1.925 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -173.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 4.3 p -148.88 151.55 12.99 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 C-N-CA 119.876 -0.729 . . . . 0.0 110.348 176.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.2 147.97 38.07 Favored 'General case' 0 CA--C 1.49 -1.327 0 CA-C-O 122.016 0.913 . . . . 0.0 113.413 -178.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.57 ' HA ' ' CE2' ' D' 1583 ' ' TYR . 16.4 m120 -58.4 138.76 85.14 Favored Pre-proline 0 C--N 1.311 -1.069 0 CA-C-N 113.573 -1.649 . . . . 0.0 107.454 170.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.409 ' CD ' ' H ' ' D' 1522 ' ' SER . 61.2 Cg_endo -90.22 -9.25 3.72 Favored 'Trans proline' 0 C--N 1.304 -1.813 0 N-CA-C 107.94 -1.6 . . . . 0.0 107.94 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.409 ' H ' ' CD ' ' D' 1521 ' ' PRO . 5.6 m -111.1 -12.29 14.18 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 112.579 -2.1 . . . . 0.0 111.344 -175.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' D' 1520 ' ' ASN . 10.7 m -125.87 -35.71 2.46 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -176.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 78.86 25.47 60.15 Favored Glycine 0 N--CA 1.399 -3.77 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 -179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.517 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 54.6 t-80 -97.22 120.17 37.08 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . . . . . . . . . 3.4 tm? -82.47 128.19 34.03 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -104.32 148.93 25.82 Favored 'General case' 0 CA--C 1.482 -1.646 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 1.3 p30 -134.74 137.27 43.32 Favored 'General case' 0 C--N 1.286 -2.184 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.232 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.548 HD13 ' CZ ' ' D' 1612 ' ' PHE . 15.3 mt -110.33 16.45 21.65 Favored 'General case' 0 C--N 1.279 -2.494 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 173.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 13.5 m -71.79 -24.31 61.72 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 121.362 0.601 . . . . 0.0 109.636 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 17.9 m -72.43 -11.84 60.85 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.575 174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . . . . . . . . . 95.7 mt -105.15 -12.45 16.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.866 -1.061 . . . . 0.0 109.944 176.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . . . . . . . . . 7.6 t -73.8 -175.42 2.09 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 122.257 1.027 . . . . 0.0 111.86 -175.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 115.76 167.0 14.94 Favored Glycine 0 C--N 1.284 -2.352 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.043 -176.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' D' 1555 ' ' GLU . 25.9 ttt180 -83.78 -8.38 59.25 Favored 'General case' 0 C--N 1.308 -1.218 0 C-N-CA 122.896 0.478 . . . . 0.0 110.911 -175.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -75.15 -43.44 52.44 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.648 0.737 . . . . 0.0 109.375 176.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.48 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 64.81 -165.56 33.35 Favored Glycine 0 N--CA 1.434 -1.456 0 CA-C-N 114.244 -1.344 . . . . 0.0 113.454 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -124.03 -175.14 3.16 Favored 'General case' 0 CA--C 1.487 -1.443 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.327 179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.42 ' O ' ' HD2' ' D' 1624 ' ' PRO . 19.5 p -130.98 150.0 52.34 Favored 'General case' 0 C--N 1.282 -2.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -173.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -136.76 154.47 50.56 Favored 'General case' 0 C--N 1.289 -2.047 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 176.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -99.94 121.06 40.77 Favored 'General case' 0 C--N 1.286 -2.187 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.606 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 11.1 t80 -99.58 93.71 6.0 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 174.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 33.9 m 51.78 -143.12 0.69 Allowed 'General case' 0 C--N 1.294 -1.846 0 CA-C-N 114.563 -1.199 . . . . 0.0 110.402 -174.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.65 1.6 25.26 Favored 'General case' 0 C--N 1.294 -1.826 0 C-N-CA 124.311 1.045 . . . . 0.0 110.548 -176.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 -23.58 11.5 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.921 -170.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.48 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -142.63 159.5 27.26 Favored Glycine 0 C--N 1.276 -2.771 0 C-N-CA 118.932 -1.604 . . . . 0.0 114.433 -177.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 2.9 pp -135.41 155.71 50.12 Favored 'General case' 0 C--N 1.269 -2.921 0 CA-C-N 114.447 -0.877 . . . . 0.0 109.12 171.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 21.5 t -108.16 152.21 10.05 Favored 'Isoleucine or valine' 0 C--N 1.262 -3.233 0 O-C-N 124.355 1.034 . . . . 0.0 108.955 -175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.438 ' HB3' HD21 ' D' 1556 ' ' ASN . 33.8 m-85 -129.79 114.76 16.33 Favored 'General case' 0 CA--C 1.469 -2.162 0 N-CA-C 103.358 -2.831 . . . . 0.0 103.358 177.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptm -148.92 122.66 9.26 Favored 'General case' 0 C--N 1.268 -2.96 0 C-N-CA 119.11 -1.036 . . . . 0.0 112.218 -172.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.48 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 6.7 p -93.13 135.87 33.92 Favored 'General case' 0 C--N 1.247 -3.88 0 CA-C-O 122.234 1.016 . . . . 0.0 112.508 -178.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.672 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 50.0 mm -78.76 117.62 24.6 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.406 0 CA-C-N 113.441 -1.709 . . . . 0.0 110.732 -175.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.472 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 17.8 p 57.08 19.68 4.92 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.88 1.672 . . . . 0.0 114.211 175.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -153.28 171.67 32.19 Favored Glycine 0 CA--C 1.485 -1.802 0 N-CA-C 108.596 -1.801 . . . . 0.0 108.596 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.538 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.4 OUTLIER -80.95 153.8 27.32 Favored 'General case' 0 CA--C 1.485 -1.538 0 CA-C-N 118.537 1.169 . . . . 0.0 111.207 179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.621 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.5 t30 -101.35 141.99 33.41 Favored 'General case' 0 C--N 1.279 -2.463 0 CA-C-N 114.693 -1.14 . . . . 0.0 109.238 -176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -73.31 -14.76 61.36 Favored 'General case' 0 C--N 1.299 -1.594 0 C-N-CA 123.278 0.631 . . . . 0.0 112.367 -174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.439 ' HB3' HD21 ' D' 1556 ' ' ASN . 7.3 t30 -84.53 -14.02 50.17 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-O 123.306 1.527 . . . . 0.0 107.477 -179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.693 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 100.0 m -103.56 165.76 12.95 Favored Pre-proline 0 N--CA 1.406 -2.662 0 CA-C-N 112.12 -2.309 . . . . 0.0 109.895 -178.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.458 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.1 Cg_exo -77.42 157.55 32.82 Favored 'Trans proline' 0 C--O 1.249 1.068 0 C-N-CA 122.411 2.074 . . . . 0.0 108.14 172.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.58 105.25 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 122.463 2.109 . . . . 0.0 112.232 -177.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 133.42 -30.12 3.06 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.543 -178.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.661 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 77.0 t -89.52 131.74 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.613 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 -178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.447 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -110.62 -3.51 28.72 Favored Glycine 0 N--CA 1.41 -3.097 0 C-N-CA 119.854 -1.165 . . . . 0.0 111.591 -172.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.13 135.68 14.29 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 122.348 -0.501 . . . . 0.0 111.225 -176.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.693 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.2 t -156.44 178.25 10.53 Favored 'General case' 0 C--N 1.305 -1.349 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.477 ' O ' ' HD3' ' D' 1571 ' ' ARG . 43.6 m-85 -102.19 155.8 17.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -80.18 -34.08 30.71 Favored Glycine 0 N--CA 1.438 -1.195 0 O-C-N 123.95 0.781 . . . . 0.0 112.988 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.48 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -93.51 -54.46 3.65 Favored 'General case' 0 C--N 1.298 -1.64 0 C-N-CA 119.514 -0.874 . . . . 0.0 111.459 178.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.98 -28.79 49.42 Favored 'General case' 0 C--N 1.283 -2.288 0 N-CA-C 116.058 1.873 . . . . 0.0 116.058 -173.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.477 ' HD3' ' O ' ' D' 1567 ' ' PHE . 9.8 mmt180 65.39 23.32 12.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 122.034 0.921 . . . . 0.0 110.494 173.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 87.3 mt -90.22 114.68 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.3 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 173.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 18.9 m -62.47 126.3 26.88 Favored 'General case' 0 C--N 1.305 -1.332 0 CA-C-O 121.365 0.602 . . . . 0.0 110.302 179.267 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 23.2 m -108.1 12.02 8.82 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.131 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 168.75 152.54 7.77 Favored Glycine 0 N--CA 1.424 -2.12 0 C-N-CA 118.731 -1.7 . . . . 0.0 113.445 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.487 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 52.5 mttp -105.75 144.73 32.07 Favored 'General case' 0 C--N 1.283 -2.31 0 CA-C-N 115.376 -0.412 . . . . 0.0 110.881 176.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -49.53 130.55 20.49 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.092 0.957 . . . . 0.0 113.231 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' D' 1553 ' ' CYS . 38.0 m-80 -148.79 144.53 27.06 Favored 'General case' 0 CA--C 1.486 -1.497 0 N-CA-C 105.447 -2.057 . . . . 0.0 105.447 176.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.587 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 18.1 ptpt -123.28 22.18 9.42 Favored 'General case' 0 C--N 1.294 -1.844 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -168.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -92.65 87.16 5.8 Favored 'General case' 0 C--N 1.271 -2.824 0 C-N-CA 119.594 -0.843 . . . . 0.0 110.523 178.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.627 HD11 ' HB3' ' D' 1588 ' ' LEU . 38.7 tp -76.29 129.75 37.12 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-N 115.315 -0.857 . . . . 0.0 108.948 176.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.465 ' O ' ' HA ' ' D' 1588 ' ' LEU . 17.2 mmm-85 -124.77 171.03 10.44 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 176.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' D' 1520 ' ' ASN . 8.6 t80 -113.9 117.97 32.89 Favored 'General case' 0 C--N 1.268 -2.954 0 N-CA-C 104.322 -2.473 . . . . 0.0 104.322 179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.535 ' O ' ' HB ' ' D' 1587 ' ' VAL . 5.0 t -137.21 92.28 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.27 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -169.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 38.8 t70 56.53 60.9 2.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.106 0.955 . . . . 0.0 111.42 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 75.66 -11.8 1.07 Allowed 'General case' 0 N--CA 1.506 2.351 0 C-N-CA 126.254 1.822 . . . . 0.0 112.209 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.535 ' HB ' ' O ' ' D' 1584 ' ' VAL . 89.9 t -100.16 162.52 3.12 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.027 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -178.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.627 ' HB3' HD11 ' D' 1581 ' ' LEU . 9.1 mt -123.54 128.27 49.51 Favored 'General case' 0 C--N 1.284 -2.282 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 169.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.622 ' HA ' ' O ' ' D' 1610 ' ' ILE . 34.4 tt0 -131.83 136.6 47.61 Favored 'General case' 0 C--N 1.29 -2.014 0 C-N-CA 116.958 -1.897 . . . . 0.0 113.721 -172.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 14.9 mt -113.3 157.76 21.39 Favored 'General case' 0 CA--C 1.481 -1.703 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.367 175.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.9 t -141.81 121.23 10.49 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.293 0 N-CA-C 107.028 -1.471 . . . . 0.0 107.028 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.672 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.7 m-30 -105.77 97.61 7.41 Favored 'General case' 0 C--N 1.281 -2.4 0 N-CA-C 106.171 -1.788 . . . . 0.0 106.171 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.401 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 6.6 mtmp? -97.34 178.26 5.28 Favored 'General case' 0 C--N 1.291 -1.967 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 -173.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.98 27.78 17.63 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 124.595 1.184 . . . . 0.0 111.898 170.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -42.59 -111.63 0.0 OUTLIER Glycine 0 N--CA 1.479 1.563 0 O-C-N 125.016 1.448 . . . . 0.0 115.581 -178.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 11.6 t -105.03 142.5 24.78 Favored Pre-proline 1 C--N 1.236 -4.345 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 169.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.42 111.66 0.58 Allowed 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 122.589 2.193 . . . . 0.0 110.065 175.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . 0.456 ' SG ' ' SG ' ' D' 1634 ' ' CYS . 42.5 t -68.34 128.16 93.16 Favored Pre-proline 0 N--CA 1.427 -1.614 0 CA-C-N 115.003 -0.999 . . . . 0.0 112.247 -172.429 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -58.35 -25.43 72.94 Favored 'Trans proline' 0 N--CA 1.485 1.015 0 C-N-CA 124.347 3.365 . . . . 0.0 113.848 176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 6.4 m -66.66 -16.36 64.15 Favored 'General case' 0 C--N 1.295 -1.793 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.79 -176.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.599 ' HB2' HD23 ' D' 1604 ' ' LEU . 34.9 mmtm -157.66 -162.46 1.18 Allowed 'General case' 0 C--N 1.319 -0.759 0 C-N-CA 124.208 1.003 . . . . 0.0 109.026 -177.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 51.0 m -141.92 107.87 5.17 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 108.86 3.25 32.05 Favored Glycine 0 CA--C 1.475 -2.416 0 N-CA-C 109.436 -1.466 . . . . 0.0 109.436 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.599 HD23 ' HB2' ' D' 1601 ' ' LYS . 28.0 tp -108.61 164.27 12.51 Favored 'General case' 0 C--N 1.269 -2.92 0 CA-C-N 111.406 -2.397 . . . . 0.0 107.486 177.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.418 ' HA ' ' H ' ' D' 1598 ' ' CYS . 48.8 m -153.87 175.46 13.31 Favored 'General case' 0 C--N 1.277 -2.58 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 -172.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -92.07 154.69 18.58 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' D' 1592 ' ' TYR . 0.0 OUTLIER -135.38 158.58 44.02 Favored 'General case' 0 C--N 1.293 -1.875 0 C-N-CA 119.866 -0.733 . . . . 0.0 109.587 172.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.535 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 36.9 m -103.01 153.68 20.0 Favored 'General case' 0 C--N 1.264 -3.127 0 CA-C-N 114.664 -1.153 . . . . 0.0 110.661 173.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.474 HG22 HG22 ' D' 1591 ' ' VAL . 2.6 t -130.41 104.86 10.64 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.699 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 168.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.9 mp -98.8 91.69 2.45 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.301 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 -176.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.537 ' O ' ' HA ' ' D' 1639 ' ' SER . 0.7 OUTLIER -90.47 102.22 14.95 Favored 'General case' 0 C--N 1.28 -2.414 0 C-N-CA 119.57 -0.852 . . . . 0.0 108.895 -179.482 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.548 ' CZ ' HD13 ' D' 1529 ' ' LEU . 83.0 m-85 -77.11 120.85 22.76 Favored 'General case' 0 CA--C 1.467 -2.228 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 177.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 60.7 t -116.07 128.31 73.4 Favored 'Isoleucine or valine' 1 C--N 1.239 -4.213 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.546 -175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' D' 1645 ' ' ALA . 1.7 p -69.44 93.39 0.66 Allowed 'General case' 0 C--N 1.291 -1.969 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.009 -177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.501 ' HB2' ' HB3' ' D' 1641 ' ' HIS . 11.1 mmm180 -146.43 136.49 11.98 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.513 -177.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -69.62 4.17 2.29 Favored 'Trans proline' 0 CA--C 1.554 1.516 0 C-N-CA 122.976 2.451 . . . . 0.0 111.613 172.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' D' 1615 ' ' ARG . 2.7 mp0 -59.85 -17.46 36.72 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 125.528 1.531 . . . . 0.0 114.89 178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' D' 1642 ' ' THR . . . -57.17 142.93 40.97 Favored 'General case' 0 C--N 1.261 -3.263 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.866 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -99.03 -162.49 29.71 Favored Glycine 0 N--CA 1.415 -2.716 0 C-N-CA 119.878 -1.154 . . . . 0.0 111.367 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -72.07 -27.52 17.01 Favored 'Trans proline' 0 C--N 1.307 -1.634 0 C-N-CA 123.063 2.508 . . . . 0.0 109.031 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 5.3 m -79.0 -60.02 2.55 Favored 'General case' 0 C--N 1.269 -2.911 0 CA-C-N 112.089 -2.323 . . . . 0.0 111.118 -178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 2.2 m-80 78.0 80.94 0.07 Allowed 'General case' 0 CA--C 1.497 -1.083 0 C-N-CA 125.392 1.477 . . . . 0.0 109.713 -176.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -110.49 144.97 31.28 Favored Pre-proline 0 C--N 1.286 -2.174 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.847 179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.42 ' HD2' ' O ' ' D' 1539 ' ' THR . 16.4 Cg_exo -69.35 128.08 15.88 Favored 'Trans proline' 0 N--CA 1.439 -1.734 0 C-N-CA 121.958 1.772 . . . . 0.0 108.45 167.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 21.7 ttt -87.4 111.22 20.9 Favored 'General case' 0 C--N 1.285 -2.234 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . 0.401 HD12 ' O ' ' D' 1637 ' ' PHE . 65.4 tp -66.85 112.31 4.21 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.8 mt -67.93 -60.89 2.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 CA-C-N 114.838 -1.074 . . . . 0.0 108.581 177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -168.23 159.58 10.93 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.871 -174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 50.1 tp -95.22 153.49 17.64 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 173.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.413 ' HB3' ' H ' ' D' 1635 ' ' THR . 17.8 t70 -130.34 112.14 13.01 Favored 'General case' 0 N--CA 1.409 -2.512 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -75.98 -27.34 57.44 Favored 'General case' 0 C--N 1.292 -1.905 0 C-N-CA 119.606 -0.838 . . . . 0.0 110.194 178.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -63.18 -34.63 78.05 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.065 -0.97 . . . . 0.0 113.204 -173.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 3.2 p -129.74 2.69 4.94 Favored 'General case' 0 C--N 1.284 -2.277 0 CA-C-O 121.602 0.715 . . . . 0.0 109.254 -177.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.557 ' SG ' HD21 ' D' 1604 ' ' LEU . 31.6 m 59.6 50.12 7.67 Favored 'General case' 0 N--CA 1.398 -3.041 0 CA-C-N 113.245 -1.798 . . . . 0.0 111.572 176.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.413 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 8.3 m -109.66 132.69 53.91 Favored 'General case' 0 C--N 1.265 -3.079 0 CA-C-N 113.93 -1.486 . . . . 0.0 110.185 -174.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.7 mp -107.34 107.38 18.26 Favored 'General case' 0 N--CA 1.424 -1.771 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.401 ' O ' HD12 ' D' 1626 ' ' LEU . 63.3 m-85 -85.82 115.19 23.31 Favored 'General case' 0 C--N 1.283 -2.284 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.456 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -113.78 151.28 32.22 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.537 ' HA ' ' O ' ' D' 1611 ' ' SER . 32.7 p -136.82 110.68 8.17 Favored 'General case' 0 C--N 1.276 -2.616 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 171.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.8 t90 -94.34 105.87 17.85 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -179.033 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . 0.501 ' HB3' ' HB2' ' D' 1615 ' ' ARG . 55.9 m80 -84.0 100.6 11.16 Favored 'General case' 0 C--N 1.288 -2.081 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.525 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 9.0 t -137.73 147.5 57.3 Favored Pre-proline 0 N--CA 1.388 -3.549 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.131 -171.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.583 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 12.5 Cg_exo -74.27 -5.19 16.59 Favored 'Trans proline' 0 N--CA 1.438 -1.737 0 C-N-CA 124.034 3.156 . . . . 0.0 110.818 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.36 -38.14 90.01 Favored 'General case' 0 N--CA 1.444 -0.729 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 178.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.567 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -94.95 6.81 48.01 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.698 -176.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 31.9 p -99.49 149.18 23.49 Favored 'General case' 1 CA--C 1.419 -4.094 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 -174.248 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 174.01 -35.01 0.0 OUTLIER 'General case' 0 C--N 1.251 -3.696 0 CA-C-N 112.794 -2.003 . . . . 0.0 106.456 -168.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.439 ' CG ' ' H ' ' D' 1649 ' ' ALA . 6.9 pt20 -100.67 -65.77 0.95 Allowed 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 113.246 -1.797 . . . . 0.0 113.371 -175.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . 0.439 ' H ' ' CG ' ' D' 1648 ' ' GLN . . . -82.03 -5.85 58.69 Favored 'General case' 0 C--N 1.29 -2.02 0 C-N-CA 125.699 1.6 . . . . 0.0 112.465 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.5 m -45.99 -25.6 0.58 Allowed 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.093 1.357 . . . . 0.0 113.064 -175.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.8 -6.87 47.96 Favored 'General case' 0 C--N 1.282 -2.364 0 CA-C-N 114.744 -1.116 . . . . 0.0 112.955 -174.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -98.81 73.39 2.0 Allowed 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 106.881 -1.526 . . . . 0.0 106.881 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.245 -3.957 0 O-C-N 121.619 -0.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.434 -1.249 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 63.1 t30 -159.59 12.09 0.13 Allowed 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.401 1.096 . . . . 0.0 110.485 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.58 -169.53 1.76 Allowed 'General case' 0 C--N 1.288 -2.088 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 69.8 t60 -144.66 -74.78 0.24 Allowed 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 119.367 -0.933 . . . . 0.0 110.312 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -96.02 10.82 36.21 Favored 'General case' 0 C--N 1.274 -2.711 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 68.58 176.65 0.27 Allowed 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 113.155 -1.839 . . . . 0.0 109.596 -171.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' D' 1530 ' ' SER . 19.7 p 53.01 16.69 0.76 Allowed 'General case' 0 N--CA 1.495 1.809 0 C-N-CA 125.03 1.332 . . . . 0.0 112.849 -176.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.542 ' HB3' HD21 ' D' 1526 ' ' LEU . 73.3 mt-30 -138.93 147.28 42.07 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 106.838 -1.541 . . . . 0.0 106.838 -176.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.519 HG21 ' N ' ' D' 1583 ' ' TYR . 5.4 p -151.3 145.8 16.23 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.821 171.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.475 ' HA ' ' O ' ' D' 1525 ' ' HIS . 1.3 p -110.06 142.19 41.86 Favored 'General case' 0 N--CA 1.419 -2.018 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.81 130.32 92.31 Favored Pre-proline 0 C--O 1.217 -0.618 0 N-CA-C 105.576 -2.009 . . . . 0.0 105.576 164.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.416 ' CD ' ' H ' ' D' 1522 ' ' SER . 60.2 Cg_endo -90.76 -6.04 4.29 Favored 'Trans proline' 0 C--N 1.311 -1.398 0 C-N-CA 121.839 1.693 . . . . 0.0 107.954 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.416 ' H ' ' CD ' ' D' 1521 ' ' PRO . 4.9 p -108.35 -4.46 17.41 Favored 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 112.011 -2.359 . . . . 0.0 111.854 -176.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 8.4 m -138.93 -33.91 0.62 Allowed 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 121.532 0.682 . . . . 0.0 109.761 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 85.66 21.17 54.53 Favored Glycine 0 N--CA 1.423 -2.217 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.268 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.475 ' O ' ' HA ' ' D' 1519 ' ' THR . 11.2 t60 -88.95 126.71 35.52 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 -178.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.542 HD21 ' HB3' ' D' 1517 ' ' GLN . 3.1 tm? -93.82 126.85 39.25 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 -177.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.506 ' O ' ' HA ' ' D' 1517 ' ' GLN . 53.7 m-85 -103.44 137.07 42.05 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -129.24 126.36 38.93 Favored 'General case' 0 C--N 1.272 -2.778 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 177.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.466 ' HB3' HD12 ' D' 1532 ' ' LEU . 48.9 mt -111.5 12.45 21.38 Favored 'General case' 0 C--N 1.289 -2.028 0 C-N-CA 119.52 -0.872 . . . . 0.0 110.136 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.648 ' HA ' ' OG ' ' D' 1533 ' ' SER . 7.7 p -72.45 -8.6 55.89 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.952 0.882 . . . . 0.0 111.334 176.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 -11.04 59.14 Favored 'General case' 0 N--CA 1.421 -1.917 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.808 172.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.466 HD12 ' HB3' ' D' 1529 ' ' LEU . 92.7 mt -98.66 -21.45 16.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 173.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.648 ' OG ' ' HA ' ' D' 1530 ' ' SER . 39.7 m -58.97 170.85 0.77 Allowed 'General case' 0 C--O 1.242 0.693 0 N-CA-C 114.098 1.147 . . . . 0.0 114.098 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 133.54 172.79 13.03 Favored Glycine 0 N--CA 1.439 -1.161 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.559 ' HG2' ' N ' ' D' 1557 ' ' GLU . 43.9 ttt180 -91.34 -13.65 32.16 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 117.499 0.65 . . . . 0.0 109.967 -178.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -66.72 -51.06 60.25 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.414 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.53 -162.26 47.71 Favored Glycine 0 CA--C 1.482 -2.016 0 CA-C-N 114.174 -1.375 . . . . 0.0 111.905 176.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -124.16 -179.44 4.43 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 118.849 -1.14 . . . . 0.0 110.041 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.421 ' HA ' ' O ' ' D' 1548 ' ' VAL . 45.3 p -120.84 149.72 42.15 Favored 'General case' 0 C--N 1.262 -3.223 0 CA-C-N 115.138 -0.937 . . . . 0.0 108.642 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -126.26 143.78 51.03 Favored 'General case' 0 C--N 1.263 -3.157 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 173.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -86.36 115.86 24.15 Favored 'General case' 0 C--N 1.276 -2.59 0 C-N-CA 118.505 -1.278 . . . . 0.0 110.2 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 82.7 t80 -84.94 103.07 13.66 Favored 'General case' 0 N--CA 1.419 -1.994 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 176.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 43.3 m 57.89 -131.63 1.34 Allowed 'General case' 0 N--CA 1.418 -2.029 0 CA-C-N 114.174 -1.375 . . . . 0.0 108.384 -174.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -107.74 -14.14 14.86 Favored 'General case' 0 C--N 1.299 -1.594 0 N-CA-C 106.97 -1.492 . . . . 0.0 106.97 -179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 62.5 mttm -101.01 -33.75 10.04 Favored 'General case' 0 CA--C 1.464 -2.334 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.826 -154.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.652 ' HA3' HE21 ' D' 1569 ' ' GLN . . . -138.21 -173.47 12.97 Favored Glycine 0 C--N 1.26 -3.682 0 C-N-CA 118.453 -1.832 . . . . 0.0 114.31 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.45 151.65 50.61 Favored 'General case' 0 C--N 1.281 -2.409 0 CA-C-N 114.079 -1.06 . . . . 0.0 109.83 -177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.9 t -103.93 148.6 8.57 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.631 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 172.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' D' 1565 ' ' ALA . 45.9 m-85 -120.59 114.03 21.12 Favored 'General case' 0 CA--C 1.453 -2.773 0 N-CA-C 104.633 -2.358 . . . . 0.0 104.633 178.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.3 ptm -150.51 120.04 6.94 Favored 'General case' 0 N--CA 1.403 -2.8 0 C-N-CA 118.468 -1.293 . . . . 0.0 112.613 -169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.414 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 10.5 p -94.31 154.6 17.42 Favored 'General case' 1 C--N 1.242 -4.072 0 CA-C-N 115.005 -0.998 . . . . 0.0 111.649 -179.192 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.665 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 72.5 mt -97.62 126.08 50.6 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.576 -179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.55 ' SG ' ' HE2' ' D' 1579 ' ' LYS . 14.4 t 74.26 -38.48 0.39 Allowed 'General case' 0 N--CA 1.485 1.312 0 O-C-N 124.167 0.917 . . . . 0.0 113.441 177.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -111.64 175.56 17.53 Favored Glycine 0 C--N 1.28 -2.536 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 -178.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.5 OUTLIER -78.48 160.15 27.85 Favored 'General case' 0 CA--C 1.481 -1.696 0 CA-C-O 121.043 0.449 . . . . 0.0 110.39 179.086 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.525 ' O ' ' HB2' ' D' 1559 ' ' CYS . 7.3 t-20 -102.12 151.52 22.08 Favored 'General case' 0 C--N 1.279 -2.461 0 CA-C-N 114.61 -1.177 . . . . 0.0 110.491 -176.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.559 ' N ' ' HG2' ' D' 1535 ' ' ARG . 19.0 tt0 -78.58 -14.02 59.54 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 -174.17 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.435 ' HB3' ' OD1' ' D' 1556 ' ' ASN . 20.0 t-20 -86.45 -15.57 39.81 Favored 'General case' 0 C--N 1.287 -2.141 0 N-CA-C 106.887 -1.523 . . . . 0.0 106.887 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' D' 1566 ' ' CYS . 71.7 m -100.32 157.65 33.41 Favored Pre-proline 0 N--CA 1.402 -2.873 0 CA-C-N 111.93 -2.395 . . . . 0.0 109.773 -177.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.47 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 7.2 Cg_exo -78.0 167.84 22.95 Favored 'Trans proline' 0 C--O 1.248 0.989 0 C-N-CA 122.343 2.029 . . . . 0.0 109.078 173.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 81.7 Cg_exo -49.92 112.69 0.76 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.667 2.244 . . . . 0.0 112.066 178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 116.31 -29.77 6.84 Favored Glycine 0 N--CA 1.43 -1.747 0 C-N-CA 121.014 -0.613 . . . . 0.0 113.081 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.637 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 73.8 t -86.97 131.09 35.77 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.496 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -111.96 -3.93 26.24 Favored Glycine 0 N--CA 1.412 -2.937 0 C-N-CA 120.164 -1.017 . . . . 0.0 111.608 -171.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' D' 1549 ' ' TYR . . . -154.67 135.24 13.46 Favored 'General case' 0 C--N 1.303 -1.452 0 CA-C-O 120.745 0.307 . . . . 0.0 111.306 -177.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.689 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 2.5 t -152.26 176.59 11.43 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 -179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -102.63 145.25 29.93 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 177.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -75.78 -23.13 73.25 Favored Glycine 0 N--CA 1.437 -1.295 0 C-N-CA 120.19 -1.005 . . . . 0.0 111.743 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.652 HE21 ' HA3' ' D' 1546 ' ' GLY . 61.4 mt-30 -78.19 -63.52 1.38 Allowed 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.892 0.853 . . . . 0.0 110.869 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 13.0 p -90.73 -24.95 20.24 Favored 'General case' 0 C--N 1.286 -2.182 0 CA-C-N 113.93 -1.486 . . . . 0.0 114.966 -170.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 17.8 mmt85 67.73 25.54 8.05 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 122.673 1.225 . . . . 0.0 108.628 -179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 74.0 mt -90.87 115.64 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.488 0 CA-C-N 113.493 -1.685 . . . . 0.0 107.926 173.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 21.1 m -60.17 132.05 52.71 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 123.653 0.781 . . . . 0.0 111.14 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . . . . . . . . . 26.7 m -113.74 16.61 8.01 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.877 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.814 -179.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 158.43 151.76 6.18 Favored Glycine 0 N--CA 1.43 -1.727 0 C-N-CA 119.463 -1.351 . . . . 0.0 112.839 177.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.496 ' HA ' ' H ' ' D' 1564 ' ' GLY . 91.6 mttt -101.11 153.97 19.12 Favored 'General case' 0 C--N 1.278 -2.513 0 CA-C-N 115.619 -0.291 . . . . 0.0 111.618 178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -50.13 128.74 19.77 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.415 0.686 . . . . 0.0 111.118 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 26.6 m-80 -148.65 144.13 26.96 Favored 'General case' 0 CA--C 1.476 -1.895 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.55 ' HE2' ' SG ' ' D' 1553 ' ' CYS . 17.9 ptpt -125.87 21.24 7.61 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-O 121.45 0.643 . . . . 0.0 112.002 -172.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -81.61 80.98 7.83 Favored 'General case' 0 C--N 1.278 -2.507 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.46 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.475 HD11 ' HB3' ' D' 1588 ' ' LEU . 20.8 tp -79.16 122.23 26.01 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.448 ' O ' ' HA ' ' D' 1588 ' ' LEU . 0.5 OUTLIER -134.79 149.31 50.38 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.578 -0.849 . . . . 0.0 111.387 178.81 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.519 ' N ' HG21 ' D' 1518 ' ' VAL . 0.8 OUTLIER -97.55 117.36 31.65 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.236 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.476 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.4 p -135.98 97.36 1.71 Allowed 'Isoleucine or valine' 0 N--CA 1.406 -2.662 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.411 -172.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 25.9 t70 58.85 48.2 11.51 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-O 122.273 1.035 . . . . 0.0 110.265 174.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.704 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 21.5 mt-30 74.82 -1.67 3.03 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 113.921 -178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.532 HG11 ' HB3' ' D' 1611 ' ' SER . 79.5 t -99.65 155.3 4.12 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 175.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.475 ' HB3' HD11 ' D' 1581 ' ' LEU . 4.7 mt -118.92 123.5 44.8 Favored 'General case' 0 C--N 1.273 -2.739 0 N-CA-C 103.549 -2.759 . . . . 0.0 103.549 171.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.663 ' HA ' ' O ' ' D' 1610 ' ' ILE . 31.4 tt0 -127.33 134.0 50.03 Favored 'General case' 0 C--N 1.275 -2.671 0 C-N-CA 117.02 -1.872 . . . . 0.0 114.177 -173.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.552 ' HB2' HD13 ' D' 1610 ' ' ILE . 27.1 mt -112.12 156.27 22.53 Favored 'General case' 0 CA--C 1.476 -1.889 0 CA-C-N 114.332 -1.304 . . . . 0.0 107.891 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.608 HG12 ' HG3' ' D' 1593 ' ' LYS . 94.2 t -142.2 121.0 9.13 Favored 'Isoleucine or valine' 0 C--N 1.28 -2.425 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.665 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -103.8 93.69 5.03 Favored 'General case' 0 N--CA 1.398 -3.045 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.608 ' HG3' HG12 ' D' 1591 ' ' VAL . 56.6 mtpt -91.69 -176.52 4.5 Favored 'General case' 0 C--N 1.285 -2.213 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -178.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.43 ' HB3' ' HD2' ' D' 1576 ' ' LYS . 2.0 t70 62.8 38.71 11.43 Favored 'General case' 0 CA--C 1.484 -1.561 0 O-C-N 124.99 1.431 . . . . 0.0 109.678 174.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -65.99 -166.07 1.87 Allowed Glycine 0 C--N 1.285 -2.283 0 CA-C-N 113.358 -1.746 . . . . 0.0 111.447 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 46.1 t -76.48 149.91 81.81 Favored Pre-proline 0 C--N 1.278 -2.511 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -46.48 122.7 5.99 Favored 'Trans proline' 0 C--N 1.362 1.283 0 C-N-CA 122.512 2.141 . . . . 0.0 108.332 169.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 42.1 t -82.99 132.26 51.43 Favored Pre-proline 0 N--CA 1.414 -2.243 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 -171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . 0.402 ' HD2' ' OH ' ' D' 1606 ' ' TYR . 52.5 Cg_exo -65.37 -33.31 48.12 Favored 'Trans proline' 0 C--O 1.239 0.547 0 C-N-CA 122.861 2.374 . . . . 0.0 112.039 172.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.4 m -80.51 -23.58 39.99 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 114.816 -1.084 . . . . 0.0 112.159 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.424 ' HD2' ' HA ' ' D' 1601 ' ' LYS . 21.7 tptp -146.44 132.96 19.73 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 178.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 19.8 m -109.55 109.59 20.42 Favored 'General case' 0 C--N 1.269 -2.932 0 CA-C-O 121.854 0.835 . . . . 0.0 111.1 -158.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.95 11.87 29.07 Favored Glycine 0 CA--C 1.46 -3.396 0 N-CA-C 108.387 -1.885 . . . . 0.0 108.387 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.444 HD12 ' H ' ' D' 1605 ' ' SER . 43.9 tp -120.34 176.76 5.31 Favored 'General case' 1 N--CA 1.356 -5.125 0 CA-C-N 111.385 -2.408 . . . . 0.0 107.076 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.444 ' H ' HD12 ' D' 1604 ' ' LEU . 14.5 m -143.35 168.09 20.63 Favored 'General case' 0 C--N 1.269 -2.893 0 N-CA-C 106.969 -1.493 . . . . 0.0 106.969 -172.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.402 ' OH ' ' HD2' ' D' 1599 ' ' PRO . 84.3 m-85 -89.48 160.76 16.59 Favored 'General case' 0 C--N 1.296 -1.746 0 O-C-N 123.223 0.327 . . . . 0.0 111.575 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.472 ' HE2' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -146.43 156.41 43.28 Favored 'General case' 0 N--CA 1.425 -1.701 0 CA-C-O 121.728 0.775 . . . . 0.0 109.917 167.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.538 ' HB2' ' HB2' ' D' 1592 ' ' TYR . 38.9 m -102.08 153.19 20.15 Favored 'General case' 0 C--N 1.261 -3.257 0 CA-C-N 114.387 -1.278 . . . . 0.0 110.589 174.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.57 HG22 HG22 ' D' 1591 ' ' VAL . 3.9 t -131.95 100.04 4.03 Favored 'Isoleucine or valine' 0 C--N 1.276 -2.621 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 169.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.663 ' O ' ' HA ' ' D' 1589 ' ' GLN . 4.2 mp -93.15 92.93 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.474 -1.958 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.572 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.4 m -92.76 100.45 12.94 Favored 'General case' 0 C--N 1.283 -2.318 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.436 ' O ' ' HA ' ' D' 1587 ' ' VAL . 97.6 m-85 -76.19 127.78 33.6 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 58.4 t -114.68 129.67 70.39 Favored 'Isoleucine or valine' 0 C--N 1.251 -3.699 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 -173.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.704 ' SG ' ' HB3' ' D' 1586 ' ' GLN . 21.8 p -67.54 106.36 2.13 Favored 'General case' 0 C--N 1.29 -1.985 0 CA-C-N 114.425 -1.261 . . . . 0.0 110.64 -179.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.434 ' HD2' ' HA ' ' D' 1615 ' ' ARG . 19.2 tpt180 -140.98 128.26 11.98 Favored Pre-proline 0 N--CA 1.414 -2.25 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 178.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.39 -1.28 9.96 Favored 'Trans proline' 0 C--O 1.245 0.837 0 C-N-CA 121.977 1.785 . . . . 0.0 110.901 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -102.46 138.88 38.79 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -97.13 170.35 9.18 Favored 'General case' 0 C--N 1.255 -3.514 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.385 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -86.96 170.47 41.6 Favored Glycine 0 N--CA 1.43 -1.715 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 173.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.65 -39.83 19.66 Favored 'Trans proline' 0 CA--C 1.501 -1.17 0 C-N-CA 123.347 2.698 . . . . 0.0 108.454 177.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 95.7 m -115.66 -30.91 6.01 Favored 'General case' 0 C--N 1.281 -2.407 0 CA-C-N 112.511 -2.131 . . . . 0.0 109.805 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 55.6 m-80 76.14 73.72 0.08 Allowed 'General case' 0 CA--C 1.479 -1.75 0 CA-C-N 113.925 -1.489 . . . . 0.0 108.536 -172.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -118.78 157.95 48.8 Favored Pre-proline 0 C--N 1.284 -2.271 0 CA-C-N 112.841 -1.982 . . . . 0.0 111.366 176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -68.86 114.9 3.71 Favored 'Trans proline' 0 N--CA 1.436 -1.905 0 C-N-CA 121.997 1.798 . . . . 0.0 108.901 171.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 23.1 mmt -84.64 115.36 22.61 Favored 'General case' 0 C--N 1.284 -2.252 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 56.6 tp -64.62 114.61 4.51 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-N 115.756 -0.657 . . . . 0.0 109.587 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.4 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -68.26 -58.02 7.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 175.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 25.5 p -168.8 157.15 8.1 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-N 114.116 -1.402 . . . . 0.0 111.616 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 51.7 tp -100.24 132.2 45.74 Favored 'General case' 0 C--N 1.304 -1.386 0 CA-C-N 115.118 -0.946 . . . . 0.0 108.468 176.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.451 ' HB3' ' H ' ' D' 1635 ' ' THR . 11.9 t70 -102.36 103.0 13.4 Favored 'General case' 0 N--CA 1.396 -3.134 0 N-CA-C 104.599 -2.371 . . . . 0.0 104.599 174.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -87.51 3.99 45.22 Favored 'General case' 0 C--N 1.274 -2.677 0 CA-C-O 121.154 0.502 . . . . 0.0 111.679 -175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -98.98 -29.16 13.07 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.672 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 21.2 p -132.22 11.87 4.61 Favored 'General case' 0 CA--C 1.484 -1.57 0 CA-C-O 122.183 0.992 . . . . 0.0 108.888 -176.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 13.1 m 55.09 51.64 13.05 Favored 'General case' 0 N--CA 1.409 -2.488 0 CA-C-N 112.209 -2.269 . . . . 0.0 114.066 172.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.472 ' OG1' ' HE2' ' D' 1607 ' ' LYS . 3.6 m -110.23 133.49 53.18 Favored 'General case' 0 C--N 1.257 -3.416 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.072 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.3 mp -107.45 103.42 12.75 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 172.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.4 ' HB3' HD12 ' D' 1627 ' ' ILE . 54.2 m-85 -85.45 111.59 20.1 Favored 'General case' 0 N--CA 1.422 -1.87 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.703 -177.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.434 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 94.6 m-85 -110.79 149.97 29.79 Favored 'General case' 0 C--N 1.287 -2.124 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.572 ' HA ' ' O ' ' D' 1611 ' ' SER . 51.9 p -137.51 119.0 14.81 Favored 'General case' 0 C--N 1.279 -2.48 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.845 171.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.482 ' CZ3' HD11 ' D' 1552 ' ' ILE . 3.2 t90 -105.15 108.91 20.68 Favored 'General case' 0 C--N 1.273 -2.726 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 -178.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 59.1 m80 -85.21 110.89 19.35 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 106.015 -1.846 . . . . 0.0 106.015 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.453 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 6.6 t -141.93 144.08 30.94 Favored Pre-proline 0 N--CA 1.393 -3.289 0 O-C-N 123.574 0.546 . . . . 0.0 109.617 -175.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.708 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 51.7 Cg_exo -63.78 -11.52 27.11 Favored 'Trans proline' 0 C--N 1.316 -1.133 0 C-N-CA 123.986 3.124 . . . . 0.0 111.749 172.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.43 -35.52 80.51 Favored 'General case' 0 N--CA 1.441 -0.902 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -91.75 7.68 40.58 Favored 'General case' 0 C--N 1.308 -1.208 0 CA-C-N 116.292 -0.413 . . . . 0.0 112.015 -175.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.708 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 25.4 p -117.35 158.88 23.65 Favored 'General case' 0 CA--C 1.433 -3.525 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 -175.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -173.24 -44.03 0.01 OUTLIER 'General case' 0 C--N 1.258 -3.397 0 N-CA-C 105.992 -1.855 . . . . 0.0 105.992 -172.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -76.05 -42.59 47.15 Favored 'General case' 0 C--N 1.296 -1.737 0 CA-C-N 113.814 -1.539 . . . . 0.0 110.47 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -70.7 -26.28 63.34 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.463 176.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 16.0 m -72.1 -16.1 62.01 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.553 -176.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 60.8 tttm -74.47 -25.49 59.42 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 114.034 -1.439 . . . . 0.0 109.941 -177.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -109.16 -99.02 0.39 Allowed 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.951 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.254 -3.55 0 CA-C-N 119.251 0.932 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . 0.575 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 35.9 m . . . . . 0 N--CA 1.442 -0.83 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -99.4 -29.91 12.5 Favored 'General case' 0 CA--C 1.5 -0.963 0 CA-C-O 122.75 1.262 . . . . 0.0 108.468 177.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.575 ' OE1' ' HB3' ' D' 1510 ' ' SER . 0.9 OUTLIER -89.17 -169.36 2.48 Favored 'General case' 0 C--N 1.268 -2.959 0 CA-C-N 112.832 -1.985 . . . . 0.0 109.691 177.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.402 ' HB3' ' H ' ' D' 1514 ' ' ASP . 24.7 t-80 -119.45 -93.07 0.52 Allowed 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.671 -0.812 . . . . 0.0 108.826 -178.023 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . 0.402 ' H ' ' HB3' ' D' 1513 ' ' HIS . 11.4 m-20 -104.19 29.07 6.25 Favored 'General case' 0 C--N 1.289 -2.035 0 N-CA-C 105.586 -2.005 . . . . 0.0 105.586 171.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' D' 1517 ' ' GLN . 7.7 m-20 71.13 170.15 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 112.399 -2.182 . . . . 0.0 110.244 -170.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.63 ' SG ' ' HB2' ' D' 1579 ' ' LYS . 5.0 m 65.48 3.49 2.38 Favored 'General case' 0 N--CA 1.49 1.559 0 C-N-CA 126.798 2.039 . . . . 0.0 111.845 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.477 ' HB3' HD21 ' D' 1526 ' ' LEU . 36.5 mt-30 -140.07 139.68 35.95 Favored 'General case' 0 N--CA 1.416 -2.134 0 N-CA-C 107.451 -1.315 . . . . 0.0 107.451 -173.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.578 HG21 ' N ' ' D' 1583 ' ' TYR . 6.0 p -138.46 149.78 24.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.517 HG23 HD23 ' D' 1526 ' ' LEU . 1.3 p -105.39 135.31 47.01 Favored 'General case' 0 C--N 1.278 -2.524 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -173.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.511 ' HB2' ' H ' ' D' 1525 ' ' HIS . 15.9 m120 -62.03 129.01 91.6 Favored Pre-proline 0 CA--C 1.504 -0.821 0 N-CA-C 106.811 -1.552 . . . . 0.0 106.811 166.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -90.67 -8.86 3.52 Favored 'Trans proline' 0 C--N 1.311 -1.408 0 C-N-CA 121.829 1.686 . . . . 0.0 108.303 179.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 16.0 m -93.47 -25.73 17.5 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.728 -2.033 . . . . 0.0 112.966 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 44.5 p -129.51 -23.6 2.88 Favored 'General case' 0 C--N 1.301 -1.506 0 CA-C-O 121.836 0.826 . . . . 0.0 110.857 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 79.07 37.76 24.37 Favored Glycine 0 N--CA 1.404 -3.459 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.985 178.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.511 ' H ' ' HB2' ' D' 1520 ' ' ASN . 34.4 t-80 -102.73 143.6 32.17 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 113.501 -1.349 . . . . 0.0 108.405 177.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.517 HD23 HG23 ' D' 1519 ' ' THR . 3.2 tm? -102.14 133.47 46.93 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.449 ' O ' ' HA ' ' D' 1517 ' ' GLN . 47.1 m-85 -103.02 140.21 37.58 Favored 'General case' 0 CA--C 1.478 -1.794 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 174.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -137.33 117.1 13.1 Favored 'General case' 0 C--N 1.273 -2.727 0 CA-C-O 121.648 0.737 . . . . 0.0 109.644 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.579 HD13 ' CZ ' ' D' 1612 ' ' PHE . 44.4 mt -108.36 19.29 20.02 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.707 -177.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . . . . . . . . . 7.8 m -72.21 -15.88 61.95 Favored 'General case' 0 C--N 1.296 -1.753 0 C-N-CA 119.961 -0.695 . . . . 0.0 111.599 -179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 23.0 t -78.47 -11.93 59.98 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.2 mt -94.98 -18.41 21.1 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.787 176.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.477 ' HA ' ' O ' ' D' 1552 ' ' ILE . 7.3 t -65.05 -179.74 0.59 Allowed 'General case' 0 C--O 1.246 0.868 0 CA-C-O 122.406 1.098 . . . . 0.0 112.657 -179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 109.33 164.7 20.17 Favored Glycine 0 C--N 1.295 -1.726 0 CA-C-N 113.755 -1.566 . . . . 0.0 110.869 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.617 ' HA ' ' O ' ' D' 1555 ' ' GLU . 76.1 mtp180 -75.85 -16.4 60.07 Favored 'General case' 0 CA--C 1.494 -1.177 0 C-N-CA 122.093 0.157 . . . . 0.0 111.076 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -60.07 -52.87 63.52 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.549 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 63.22 -163.51 30.52 Favored Glycine 0 C--N 1.301 -1.416 0 CA-C-N 114.953 -1.021 . . . . 0.0 114.399 173.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -126.65 -178.39 4.36 Favored 'General case' 0 CA--C 1.487 -1.479 0 C-N-CA 119.504 -0.878 . . . . 0.0 110.879 179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 33.9 p -128.74 145.99 51.02 Favored 'General case' 0 C--N 1.284 -2.275 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.037 -176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -130.07 150.85 51.15 Favored 'General case' 0 C--N 1.279 -2.463 0 N-CA-C 106.005 -1.85 . . . . 0.0 106.005 176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -93.54 120.16 33.47 Favored 'General case' 0 C--N 1.282 -2.36 0 C-N-CA 119.808 -0.757 . . . . 0.0 111.444 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 19.9 t80 -90.24 98.89 12.04 Favored 'General case' 0 C--O 1.263 1.764 0 N-CA-C 105.335 -2.098 . . . . 0.0 105.335 173.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 14.9 m 60.16 -142.95 0.54 Allowed 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 -173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -107.55 -6.27 17.08 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 17.9 pttp -103.46 -23.75 13.51 Favored 'General case' 0 CA--C 1.472 -2.029 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.106 -163.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.592 ' HA3' ' NE2' ' D' 1569 ' ' GLN . . . -142.82 -179.26 19.43 Favored Glycine 0 CA--C 1.467 -2.925 0 C-N-CA 117.89 -2.1 . . . . 0.0 114.128 176.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -137.53 162.44 33.73 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 113.887 -1.157 . . . . 0.0 110.366 178.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . . . . . . . . . 46.1 t -109.15 149.06 12.53 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.857 0 N-CA-C 106.276 -1.75 . . . . 0.0 106.276 176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -126.93 114.1 17.4 Favored 'General case' 0 CA--C 1.452 -2.808 0 N-CA-C 104.971 -2.233 . . . . 0.0 104.971 -179.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 24.0 ptt? -150.07 142.7 24.54 Favored 'General case' 0 C--N 1.272 -2.783 0 C-N-CA 118.239 -1.385 . . . . 0.0 111.384 -175.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.549 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.2 p -93.41 169.96 9.97 Favored 'General case' 1 C--N 1.233 -4.464 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.212 -179.532 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.477 ' O ' ' HA ' ' D' 1533 ' ' SER . 49.3 mm -110.45 123.59 66.48 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 176.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.469 ' SG ' ' HB2' ' D' 1533 ' ' SER . 19.8 p 55.19 18.2 2.32 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 125.573 1.549 . . . . 0.0 114.682 176.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -156.12 178.98 32.36 Favored Glycine 0 CA--C 1.481 -2.093 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.617 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.1 OUTLIER -80.73 162.82 23.94 Favored 'General case' 0 CA--C 1.486 -1.485 0 CA-C-N 118.88 1.34 . . . . 0.0 110.186 177.737 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.543 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 11.8 t-20 -108.42 158.15 17.78 Favored 'General case' 0 C--N 1.286 -2.179 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.97 -175.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -70.19 -28.35 65.24 Favored 'General case' 0 CA--C 1.491 -1.327 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.48 ' ND2' ' HB3' ' D' 1566 ' ' CYS . 4.7 t30 -90.8 -1.65 57.83 Favored 'General case' 0 C--N 1.271 -2.827 0 CA-C-O 123.884 1.802 . . . . 0.0 108.154 -176.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.587 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 71.9 m -109.74 149.36 39.83 Favored Pre-proline 0 N--CA 1.383 -3.789 0 CA-C-N 111.941 -2.39 . . . . 0.0 108.28 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.447 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.4 Cg_exo -74.46 164.31 34.23 Favored 'Trans proline' 0 C--O 1.247 0.968 0 C-N-CA 122.268 1.979 . . . . 0.0 108.846 174.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -50.84 107.79 0.19 Allowed 'Trans proline' 0 C--O 1.247 0.952 0 C-N-CA 122.507 2.138 . . . . 0.0 111.46 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 125.09 -28.63 5.07 Favored Glycine 0 N--CA 1.426 -1.999 0 CA-C-N 115.31 -0.859 . . . . 0.0 112.9 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 71.4 t -91.0 132.97 34.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -178.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.432 ' H ' ' HA ' ' D' 1576 ' ' LYS . . . -112.5 -2.57 25.89 Favored Glycine 0 N--CA 1.415 -2.707 0 C-N-CA 119.144 -1.503 . . . . 0.0 111.591 -174.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.88 131.32 10.48 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 122.018 0.127 . . . . 0.0 110.743 -177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.504 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 5.6 t -150.44 178.12 9.34 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.835 -1.172 . . . . 0.0 107.835 179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.415 ' CZ ' HG11 ' D' 1574 ' ' VAL . 22.0 m-85 -101.37 150.84 22.6 Favored 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -87.86 -6.54 75.93 Favored Glycine 0 C--O 1.206 -1.613 0 N-CA-C 110.434 -1.067 . . . . 0.0 110.434 175.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.592 ' NE2' ' HA3' ' D' 1546 ' ' GLY . 50.0 mt-30 -90.45 -64.04 1.19 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.019 0.914 . . . . 0.0 110.144 178.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . 0.45 ' HB ' HD13 ' D' 1572 ' ' ILE . 0.1 OUTLIER -91.7 -24.3 19.53 Favored 'General case' 0 C--N 1.278 -2.539 0 N-CA-C 115.351 1.611 . . . . 0.0 115.351 -174.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 68.38 23.95 7.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 -176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.45 HD13 ' HB ' ' D' 1570 ' ' THR . 1.5 mp -90.85 124.31 43.36 Favored 'Isoleucine or valine' 0 C--O 1.249 1.032 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.649 172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . . . . . . . . . 9.0 m -66.55 132.28 47.87 Favored 'General case' 0 C--N 1.315 -0.91 0 C-N-CA 124.162 0.985 . . . . 0.0 110.781 -176.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' D' 1567 ' ' PHE . 21.8 m -114.3 17.16 7.86 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 CA-C-O 121.69 0.757 . . . . 0.0 110.658 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.11 153.02 6.74 Favored Glycine 0 N--CA 1.426 -2.031 0 C-N-CA 119.602 -1.285 . . . . 0.0 113.109 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 97.9 mttt -106.77 147.8 29.23 Favored 'General case' 0 C--N 1.28 -2.424 0 CA-C-N 115.614 -0.293 . . . . 0.0 111.356 178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.92 127.55 16.61 Favored 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 124.503 1.121 . . . . 0.0 112.674 176.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -148.74 145.74 27.76 Favored 'General case' 0 CA--C 1.471 -2.089 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.63 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 0.2 OUTLIER -121.12 18.74 11.61 Favored 'General case' 0 C--N 1.283 -2.321 0 C-N-CA 119.546 -0.862 . . . . 0.0 113.061 -170.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -87.54 84.5 7.12 Favored 'General case' 0 C--N 1.272 -2.786 0 CA-C-O 121.862 0.839 . . . . 0.0 111.835 -178.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.534 HD11 ' HB3' ' D' 1588 ' ' LEU . 45.2 tp -71.35 135.83 47.52 Favored 'General case' 0 N--CA 1.435 -1.203 0 CA-C-N 114.862 -1.063 . . . . 0.0 108.8 176.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.584 ' O ' ' HA ' ' D' 1588 ' ' LEU . 25.6 ptt180 -136.1 159.59 41.25 Favored 'General case' 0 C--N 1.308 -1.211 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.771 178.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.578 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -108.28 121.57 45.17 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 105.94 -1.874 . . . . 0.0 105.94 -179.565 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.607 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -154.72 114.0 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 O-C-N 122.959 0.162 . . . . 0.0 110.869 -172.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 34.9 t70 61.2 43.61 10.79 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 121.796 0.808 . . . . 0.0 111.477 172.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 72.51 4.5 5.01 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 124.553 1.141 . . . . 0.0 111.447 -178.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.607 ' HB ' ' O ' ' D' 1584 ' ' VAL . 86.6 t -111.62 156.83 12.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.144 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.209 -177.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' D' 1582 ' ' ARG . 8.3 mt -118.19 124.55 48.22 Favored 'General case' 0 C--N 1.277 -2.581 0 N-CA-C 103.042 -2.947 . . . . 0.0 103.042 168.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.688 ' HA ' ' O ' ' D' 1610 ' ' ILE . 29.1 tt0 -129.15 133.47 47.62 Favored 'General case' 0 C--N 1.278 -2.519 0 C-N-CA 117.379 -1.728 . . . . 0.0 114.199 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.437 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 15.9 mt -109.84 147.57 33.08 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-N 114.747 -1.115 . . . . 0.0 108.825 175.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' D' 1608 ' ' SER . 72.0 t -135.36 119.71 26.59 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.865 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 -178.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.563 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.5 m-30 -103.55 93.56 5.0 Favored 'General case' 0 N--CA 1.382 -3.844 0 N-CA-C 106.01 -1.848 . . . . 0.0 106.01 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.72 -177.49 3.8 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-O 118.786 -0.626 . . . . 0.0 110.023 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 82.0 m-20 68.83 31.96 4.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 124.049 0.843 . . . . 0.0 110.517 -177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -69.31 -169.16 6.29 Favored Glycine 0 N--CA 1.437 -1.293 0 N-CA-C 110.239 -1.145 . . . . 0.0 110.239 176.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 53.5 m -62.95 153.15 81.54 Favored Pre-proline 0 C--N 1.293 -1.872 0 O-C-N 121.801 -0.823 . . . . 0.0 110.369 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -52.43 140.01 54.49 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 123.375 2.717 . . . . 0.0 112.469 -177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 6.9 p -61.46 112.64 6.31 Favored Pre-proline 0 C--N 1.309 -1.166 0 C-N-CA 123.996 0.919 . . . . 0.0 112.007 -177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -73.59 -30.17 10.07 Favored 'Trans proline' 0 CA--C 1.511 -0.636 0 C-N-CA 122.351 2.034 . . . . 0.0 112.294 -177.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 21.6 m -103.88 -0.49 29.04 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.924 -1.489 . . . . 0.0 112.731 -176.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.404 ' HB2' HD23 ' D' 1604 ' ' LEU . 74.3 mmtt -141.29 -168.91 2.74 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -176.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . . . . . . . . . 26.6 t -144.75 111.9 5.97 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 121.025 0.441 . . . . 0.0 111.549 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 103.62 15.82 21.69 Favored Glycine 0 CA--C 1.474 -2.491 0 CA-C-O 123.387 1.548 . . . . 0.0 109.908 172.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.409 ' HG ' ' N ' ' D' 1605 ' ' SER . 29.0 tp -122.44 -176.36 3.36 Favored 'General case' 0 N--CA 1.38 -3.971 0 CA-C-N 111.681 -2.26 . . . . 0.0 108.733 -176.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.409 ' N ' ' HG ' ' D' 1604 ' ' LEU . 49.5 m -161.5 175.36 12.22 Favored 'General case' 0 C--N 1.28 -2.44 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -80.43 150.88 29.59 Favored 'General case' 0 CA--C 1.489 -1.389 0 C-N-CA 119.004 -1.078 . . . . 0.0 109.394 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.587 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -143.39 156.38 44.66 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 119.553 -0.859 . . . . 0.0 109.207 170.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.563 ' HB2' ' H ' ' D' 1592 ' ' TYR . 57.4 m -99.63 151.97 20.59 Favored 'General case' 0 C--N 1.267 -2.995 0 CA-C-N 114.892 -1.049 . . . . 0.0 110.085 172.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.412 HG13 ' NE2' ' D' 1589 ' ' GLN . 3.2 t -132.76 97.08 2.46 Favored 'Isoleucine or valine' 0 C--N 1.272 -2.761 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 169.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.688 ' O ' ' HA ' ' D' 1589 ' ' GLN . 38.4 mt -92.51 91.86 3.56 Favored 'Isoleucine or valine' 0 CA--C 1.461 -2.469 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 -178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.554 ' O ' ' HA ' ' D' 1639 ' ' SER . 3.3 m -90.37 98.51 11.81 Favored 'General case' 0 C--N 1.273 -2.748 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.579 ' CZ ' HD13 ' D' 1529 ' ' LEU . 76.1 m-85 -74.34 124.51 26.62 Favored 'General case' 0 CA--C 1.477 -1.83 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 176.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 57.5 t -113.66 137.8 45.57 Favored 'Isoleucine or valine' 0 C--N 1.249 -3.8 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.098 -174.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.566 ' HB2' ' HB3' ' D' 1646 ' ' CYS . 7.3 p -68.3 94.08 0.51 Allowed 'General case' 0 C--N 1.3 -1.552 0 C-N-CA 124.558 1.143 . . . . 0.0 111.242 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.522 ' HG2' ' HB2' ' D' 1617 ' ' GLU . 55.2 ttt180 -146.76 104.86 3.93 Favored Pre-proline 0 N--CA 1.43 -1.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.638 178.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -72.0 -4.43 15.13 Favored 'Trans proline' 0 CA--C 1.55 1.292 0 C-N-CA 122.714 2.276 . . . . 0.0 112.502 179.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.522 ' HB2' ' HG2' ' D' 1615 ' ' ARG . 24.2 mt-10 -84.59 11.8 8.18 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 125.043 1.337 . . . . 0.0 112.471 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . 0.405 ' CB ' ' HD3' ' D' 1643 ' ' PRO . . . -54.44 178.5 0.03 OUTLIER 'General case' 0 C--N 1.253 -3.608 0 C-N-CA 126.538 1.935 . . . . 0.0 113.475 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -105.23 -173.35 24.21 Favored Glycine 0 N--CA 1.426 -1.974 0 C-N-CA 119.21 -1.472 . . . . 0.0 112.84 -172.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -79.38 -31.93 1.91 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 123.205 2.603 . . . . 0.0 110.256 177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 19.7 m -79.12 -50.45 11.0 Favored 'General case' 0 C--N 1.277 -2.557 0 CA-C-N 112.756 -2.02 . . . . 0.0 109.274 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 19.6 m120 70.15 77.27 0.2 Allowed 'General case' 0 CA--C 1.496 -1.134 0 CA-C-N 113.46 -1.7 . . . . 0.0 108.363 -179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 70.6 mtt180 -102.24 145.64 30.88 Favored Pre-proline 0 C--N 1.287 -2.13 0 CA-C-N 114.135 -1.393 . . . . 0.0 112.915 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.43 ' HG3' ' CE3' ' D' 1640 ' ' TRP . 8.3 Cg_exo -75.04 126.11 9.73 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 C-N-CA 122.337 2.025 . . . . 0.0 108.332 167.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 51.5 ttm -92.39 119.27 31.76 Favored 'General case' 0 C--N 1.29 -1.992 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.482 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 66.6 tp -70.47 109.77 4.99 Favored 'General case' 0 N--CA 1.425 -1.699 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 55.3 mt -64.99 -59.08 4.68 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 66.7 m -164.78 153.5 12.56 Favored 'General case' 0 C--N 1.294 -1.834 0 CA-C-N 114.27 -1.332 . . . . 0.0 111.635 -176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 39.9 tp -92.42 131.85 37.25 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 169.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 28.3 t70 -108.49 102.73 11.79 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -71.59 -18.13 62.25 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.153 0.501 . . . . 0.0 110.11 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 55.7 tp60 -66.37 -33.73 76.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.869 -1.06 . . . . 0.0 112.639 -178.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . 0.4 ' C ' HD21 ' D' 1604 ' ' LEU . 39.5 p -133.06 7.44 3.98 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 -177.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . . . . . . . . . 68.9 m 52.18 48.01 23.56 Favored 'General case' 0 N--CA 1.415 -2.211 0 CA-C-N 113.453 -1.703 . . . . 0.0 112.583 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.587 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 17.8 m -108.6 131.49 54.82 Favored 'General case' 0 C--N 1.287 -2.12 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.735 -176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.6 mp -97.38 103.87 15.84 Favored 'General case' 0 N--CA 1.412 -2.334 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 172.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -84.42 108.26 17.13 Favored 'General case' 0 N--CA 1.414 -2.264 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.721 -176.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.531 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 87.0 m-85 -107.67 148.23 29.65 Favored 'General case' 0 C--N 1.291 -1.974 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.554 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.9 p -134.2 112.3 10.98 Favored 'General case' 0 C--N 1.273 -2.732 0 CA-C-O 121.5 0.667 . . . . 0.0 109.235 171.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.43 ' CE3' ' HG3' ' D' 1624 ' ' PRO . 4.0 t90 -98.57 104.94 17.02 Favored 'General case' 0 C--N 1.278 -2.543 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 52.5 m80 -79.95 108.06 13.23 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 105.889 -1.893 . . . . 0.0 105.889 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 8.8 t -141.36 151.55 61.52 Favored Pre-proline 0 N--CA 1.397 -3.088 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 -171.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.802 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 14.7 Cg_exo -72.65 -6.24 18.67 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 124.069 3.18 . . . . 0.0 110.952 173.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -71.81 -34.9 69.73 Favored 'General case' 0 C--O 1.204 -1.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.915 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.89 12.0 25.26 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 120.91 0.386 . . . . 0.0 111.629 -174.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.802 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 7.6 p -121.82 154.87 36.44 Favored 'General case' 0 CA--C 1.439 -3.318 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 -175.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -176.67 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.263 -3.179 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -76.62 -57.86 3.61 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-N 113.709 -1.587 . . . . 0.0 109.152 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -56.15 -32.49 64.33 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.061 176.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 10.7 m -64.11 -24.07 67.56 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 122.334 1.064 . . . . 0.0 109.89 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.25 -17.35 26.13 Favored 'General case' 0 C--N 1.283 -2.308 0 CA-C-N 113.821 -1.536 . . . . 0.0 110.305 -176.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -107.3 86.59 2.33 Favored 'General case' 0 N--CA 1.419 -1.997 0 CA-C-N 115.661 -0.699 . . . . 0.0 109.124 -172.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.244 -3.994 0 CA-C-N 118.841 0.746 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 43.6 m . . . . . 0 N--CA 1.446 -0.674 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 64.7 t30 67.41 2.43 2.88 Favored 'General case' 0 N--CA 1.505 2.307 0 C-N-CA 125.441 1.497 . . . . 0.0 111.493 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.475 ' H ' ' HG2' ' D' 1512 ' ' GLU . 5.7 pt-20 -83.73 175.08 9.93 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 113.845 -1.525 . . . . 0.0 109.568 177.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . 0.429 ' C ' ' H ' ' D' 1515 ' ' ASP . 34.1 m-70 -132.94 -99.18 0.28 Allowed 'General case' 0 C--N 1.299 -1.616 0 C-N-CA 119.274 -0.971 . . . . 0.0 112.716 -174.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -97.97 25.28 6.15 Favored 'General case' 0 C--N 1.285 -2.21 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 174.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' D' 1517 ' ' GLN . 32.0 m-20 68.94 161.87 0.21 Allowed 'General case' 0 CA--C 1.494 -1.207 0 C-N-CA 127.929 2.492 . . . . 0.0 110.038 -175.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.422 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 6.8 p 51.46 19.43 0.82 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.403 1.081 . . . . 0.0 113.032 -176.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.577 ' HB3' HD22 ' D' 1526 ' ' LEU . 96.5 mt-30 -140.14 137.54 34.52 Favored 'General case' 0 N--CA 1.428 -1.544 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.101 -174.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.587 HG21 ' HA ' ' D' 1582 ' ' ARG . 8.6 p -144.25 153.21 15.36 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.24 145.26 34.57 Favored 'General case' 0 C--N 1.28 -2.444 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -172.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' D' 1525 ' ' HIS . 14.0 m120 -64.28 142.18 98.27 Favored Pre-proline 0 N--CA 1.444 -0.749 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 164.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.419 ' CD ' ' H ' ' D' 1522 ' ' SER . 69.7 Cg_endo -93.94 -11.3 1.4 Allowed 'Trans proline' 0 C--N 1.314 -1.268 0 C-N-CA 121.806 1.671 . . . . 0.0 108.252 175.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.419 ' H ' ' CD ' ' D' 1521 ' ' PRO . 35.4 t -86.14 -35.19 20.31 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-N 112.793 -2.003 . . . . 0.0 111.935 -175.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 45.9 p -125.49 -33.62 2.77 Favored 'General case' 0 C--N 1.284 -2.266 0 CA-C-O 122.205 1.002 . . . . 0.0 108.933 -177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 94.65 11.92 56.32 Favored Glycine 1 N--CA 1.394 -4.146 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.477 -178.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.405 ' HB3' ' OD1' ' D' 1520 ' ' ASN . 60.5 t60 -66.84 131.55 46.15 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 114.971 -0.615 . . . . 0.0 109.544 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.577 HD22 ' HB3' ' D' 1517 ' ' GLN . 0.4 OUTLIER -89.58 128.57 36.04 Favored 'General case' 0 C--N 1.289 -2.029 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.584 -178.602 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.472 ' O ' ' HA ' ' D' 1517 ' ' GLN . 94.8 m-85 -96.24 140.21 31.27 Favored 'General case' 0 CA--C 1.468 -2.204 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 174.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.3 p30 -134.55 122.23 22.08 Favored 'General case' 0 C--N 1.259 -3.364 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.464 ' HB3' HD12 ' D' 1532 ' ' LEU . 78.0 mt -110.2 25.05 12.22 Favored 'General case' 0 C--N 1.283 -2.302 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.041 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.564 ' HA ' ' OG ' ' D' 1533 ' ' SER . 1.4 m -66.03 -21.46 66.39 Favored 'General case' 0 C--N 1.305 -1.363 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.751 175.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 5.8 p -72.66 -14.38 61.57 Favored 'General case' 0 C--N 1.293 -1.862 0 CA-C-O 121.985 0.898 . . . . 0.0 109.742 176.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.464 HD12 ' HB3' ' D' 1529 ' ' LEU . 75.8 mt -102.93 -20.53 14.21 Favored 'General case' 0 N--CA 1.431 -1.378 0 CA-C-N 114.634 -1.166 . . . . 0.0 108.265 177.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.564 ' OG ' ' HA ' ' D' 1530 ' ' SER . 26.6 m -68.55 168.36 13.09 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 114.486 -1.233 . . . . 0.0 112.371 -177.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 124.41 165.33 12.17 Favored Glycine 0 N--CA 1.423 -2.195 0 C-N-CA 119.52 -1.324 . . . . 0.0 111.699 -177.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' D' 1555 ' ' GLU . 29.9 ttm180 -80.6 -17.33 51.7 Favored 'General case' 0 C--N 1.31 -1.109 0 C-N-CA 123.587 0.755 . . . . 0.0 110.676 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.25 -54.34 30.73 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 175.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 71.85 -167.48 52.55 Favored Glycine 0 N--CA 1.428 -1.843 0 CA-C-N 114.226 -1.352 . . . . 0.0 114.348 173.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . 0.405 ' N ' ' O ' ' D' 1550 ' ' MET . 64.7 m-85 -123.81 -178.74 4.14 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 121.47 0.652 . . . . 0.0 110.885 178.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . . . . . . . . . 11.5 p -126.04 163.51 22.9 Favored 'General case' 0 C--N 1.27 -2.867 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.31 -174.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -144.06 128.93 18.42 Favored 'General case' 0 C--N 1.286 -2.167 0 N-CA-C 106.101 -1.814 . . . . 0.0 106.101 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -83.44 110.78 18.46 Favored 'General case' 0 C--N 1.291 -1.973 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . 0.6 ' OH ' HD22 ' D' 1629 ' ' LEU . 14.4 t80 -95.24 94.79 8.09 Favored 'General case' 0 N--CA 1.422 -1.867 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -175.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 16.2 m 51.46 -146.03 0.49 Allowed 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.351 -1.295 . . . . 0.0 109.295 -175.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -106.9 5.54 28.45 Favored 'General case' 0 C--N 1.288 -2.068 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -87.05 -22.59 25.36 Favored 'General case' 0 N--CA 1.421 -1.901 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.279 -173.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . 166.73 -156.06 27.67 Favored Glycine 0 C--N 1.285 -2.253 0 CA-C-N 113.781 -1.554 . . . . 0.0 114.327 174.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . 0.44 ' HA ' ' H ' ' D' 1542 ' ' TYR . 1.2 pt? -137.28 166.97 22.51 Favored 'General case' 0 C--N 1.278 -2.501 0 CA-C-N 114.266 -0.967 . . . . 0.0 111.201 178.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 39.8 t -115.19 149.58 17.37 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.52 -1.218 . . . . 0.0 107.926 177.204 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -130.26 118.85 21.96 Favored 'General case' 0 CA--C 1.443 -3.149 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 178.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . 0.405 ' O ' ' N ' ' D' 1538 ' ' PHE . 14.5 ptt? -146.1 145.11 30.4 Favored 'General case' 0 C--N 1.258 -3.396 0 C-N-CA 118.145 -1.422 . . . . 0.0 110.0 -178.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.51 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 3.3 p -94.01 169.86 9.96 Favored 'General case' 1 C--N 1.221 -4.997 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.013 176.3 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.526 ' HB ' ' HA ' ' D' 1533 ' ' SER . 46.6 mm -111.12 117.62 55.46 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.154 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 174.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' D' 1578 ' ' ASN . 10.3 p 69.63 -25.38 0.15 Allowed 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 128.006 2.522 . . . . 0.0 114.016 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.73 21.49 Favored Glycine 0 CA--C 1.476 -2.382 0 N-CA-C 109.945 -1.262 . . . . 0.0 109.945 178.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.3 OUTLIER -81.44 158.68 24.49 Favored 'General case' 0 CA--C 1.481 -1.68 0 CA-C-N 117.96 0.88 . . . . 0.0 110.006 177.079 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.569 ' O ' ' HB2' ' D' 1559 ' ' CYS . 18.3 t-20 -103.81 139.83 38.47 Favored 'General case' 0 C--N 1.277 -2.576 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.07 -175.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -21.15 66.33 Favored 'General case' 0 C--N 1.307 -1.255 0 C-N-CA 124.844 1.258 . . . . 0.0 112.747 -175.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -93.79 -4.24 50.59 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 123.323 1.535 . . . . 0.0 107.736 -174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.617 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.5 m -106.08 163.9 16.08 Favored Pre-proline 0 N--CA 1.405 -2.692 0 CA-C-N 112.527 -2.124 . . . . 0.0 107.636 -178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.7 Cg_exo -73.3 144.09 36.32 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 N-CA-C 107.541 -1.754 . . . . 0.0 107.541 172.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.72 105.31 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.947 2.431 . . . . 0.0 112.313 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.56 -22.12 4.99 Favored Glycine 0 N--CA 1.424 -2.106 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.787 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.617 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 53.1 t -95.2 133.54 35.75 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.655 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 178.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . . . . . . . . . . . -109.0 -4.01 31.46 Favored Glycine 0 N--CA 1.414 -2.805 0 C-N-CA 119.125 -1.512 . . . . 0.0 111.636 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -155.29 129.7 9.02 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 122.919 -0.165 . . . . 0.0 111.169 -178.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.524 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 4.5 t -151.11 -178.21 6.48 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.596 ' O ' ' HD3' ' D' 1571 ' ' ARG . 37.9 m-85 -102.06 138.6 38.81 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -63.18 -32.46 84.22 Favored Glycine 0 CA--C 1.495 -1.215 0 N-CA-C 115.286 0.874 . . . . 0.0 115.286 -175.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -100.15 -52.3 3.44 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-O 121.828 0.823 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 2.7 m -78.38 -29.26 47.26 Favored 'General case' 0 C--N 1.28 -2.429 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -171.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' D' 1567 ' ' PHE . 0.0 OUTLIER 59.71 36.56 22.37 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 122.764 1.269 . . . . 0.0 112.4 -177.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . . . . . . . . . 15.7 mt -90.62 113.25 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.411 -2.393 0 N-CA-C 106.153 -1.795 . . . . 0.0 106.153 167.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.485 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.6 m -71.22 128.09 34.76 Favored 'General case' 0 N--CA 1.42 -1.941 0 CA-C-O 121.441 0.639 . . . . 0.0 109.92 -177.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.408 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 30.0 m -106.02 18.74 5.28 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.898 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.251 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . 0.461 ' HA3' ' HB3' ' D' 1592 ' ' TYR . . . 153.15 155.83 7.32 Favored Glycine 0 N--CA 1.43 -1.71 0 C-N-CA 119.524 -1.322 . . . . 0.0 113.671 175.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.491 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 49.6 mttm -100.3 153.42 19.31 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' D' 1555 ' ' GLU . . . -49.34 128.79 17.62 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.658 0.783 . . . . 0.0 112.38 175.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.452 ' O ' ' HA ' ' D' 1553 ' ' CYS . 33.7 m-80 -147.74 135.34 20.87 Favored 'General case' 0 CA--C 1.485 -1.535 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.45 ' HD3' ' OD1' ' D' 1515 ' ' ASP . 0.0 OUTLIER -115.14 17.57 16.65 Favored 'General case' 0 C--N 1.283 -2.289 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -165.291 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -92.85 87.98 6.03 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.936 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.408 ' HA ' ' CD2' ' D' 1590 ' ' LEU . 34.8 tp -77.92 121.78 24.61 Favored 'General case' 0 C--N 1.296 -1.732 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 176.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.587 ' HA ' HG21 ' D' 1518 ' ' VAL 0.254 0.0 OUTLIER -132.15 145.52 51.42 Favored 'General case' 0 CA--C 1.503 -0.827 0 C-N-CA 119.84 -0.744 . . . . 0.0 112.233 176.933 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.533 ' N ' HG21 ' D' 1518 ' ' VAL . 0.3 OUTLIER -93.13 111.57 23.25 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.22 -1.77 . . . . 0.0 106.22 -175.381 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.527 ' O ' ' HB ' ' D' 1587 ' ' VAL . 14.9 m -141.32 113.27 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.422 -1.871 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -175.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 18.6 t70 65.05 40.96 4.84 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 121.522 0.677 . . . . 0.0 110.279 171.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.531 HE22 ' HG2' ' D' 1648 ' ' GLN . 14.4 mm100 70.49 6.81 5.97 Favored 'General case' 0 N--CA 1.501 2.122 0 C-N-CA 124.288 1.035 . . . . 0.0 111.594 -179.165 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.527 ' HB ' ' O ' ' D' 1584 ' ' VAL . 71.1 t -111.52 154.75 13.03 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.109 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.487 ' HA ' ' O ' ' D' 1582 ' ' ARG . 7.2 mt -117.56 122.67 44.28 Favored 'General case' 0 C--N 1.262 -3.212 0 N-CA-C 103.359 -2.83 . . . . 0.0 103.359 170.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.656 ' HA ' ' O ' ' D' 1610 ' ' ILE . 6.0 tt0 -127.78 138.44 52.74 Favored 'General case' 0 C--N 1.273 -2.742 0 C-N-CA 117.652 -1.619 . . . . 0.0 114.574 -171.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.437 ' HB2' HD12 ' D' 1610 ' ' ILE . 14.5 mt -114.74 153.29 30.58 Favored 'General case' 0 CA--C 1.48 -1.743 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.472 HG13 ' O ' ' D' 1608 ' ' SER . 78.2 t -137.82 119.54 18.15 Favored 'Isoleucine or valine' 0 C--N 1.27 -2.86 0 N-CA-C 106.824 -1.546 . . . . 0.0 106.824 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.565 ' H ' ' HB2' ' D' 1608 ' ' SER . 22.2 m-30 -101.51 96.09 6.9 Favored 'General case' 1 N--CA 1.375 -4.209 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 178.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.87 174.56 5.82 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.769 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . 0.425 ' HB3' ' HE2' ' D' 1576 ' ' LYS . 49.8 m-20 67.34 46.32 1.46 Allowed 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 124.712 1.257 . . . . 0.0 110.371 -175.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -68.55 -162.3 2.44 Favored Glycine 0 C--N 1.284 -2.345 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.956 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 50.9 m -71.71 147.44 91.95 Favored Pre-proline 0 C--N 1.28 -2.446 0 O-C-N 122.15 -0.618 . . . . 0.0 109.534 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 9.1 Cg_endo -51.76 118.45 4.47 Favored 'Trans proline' 0 C--N 1.365 1.435 0 C-N-CA 122.731 2.287 . . . . 0.0 108.842 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 49.1 t -85.64 132.78 43.43 Favored Pre-proline 0 C--N 1.287 -2.144 0 CA-C-N 115.507 -0.769 . . . . 0.0 112.876 -169.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -62.14 -25.8 77.48 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.741 2.961 . . . . 0.0 113.603 176.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 24.3 m -60.16 -18.09 45.36 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.592 ' HG2' ' H ' ' D' 1602 ' ' SER . 76.6 tttt -160.54 -154.52 0.38 Allowed 'General case' 0 C--N 1.308 -1.231 0 N-CA-C 105.978 -1.86 . . . . 0.0 105.978 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.592 ' H ' ' HG2' ' D' 1601 ' ' LYS . 2.6 p -142.88 109.38 5.37 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 118.07 0.395 . . . . 0.0 110.528 -177.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.66 23.59 8.72 Favored Glycine 0 CA--C 1.475 -2.437 0 N-CA-C 108.361 -1.896 . . . . 0.0 108.361 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.575 HD21 ' SG ' ' D' 1634 ' ' CYS . 30.3 tp -121.84 172.47 8.15 Favored 'General case' 0 N--CA 1.383 -3.816 0 CA-C-N 112.155 -2.022 . . . . 0.0 108.225 -176.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.441 ' H ' HD12 ' D' 1604 ' ' LEU . 26.7 m -158.26 169.77 23.75 Favored 'General case' 0 C--N 1.277 -2.574 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -173.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.408 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 87.0 m-85 -89.4 159.1 17.48 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 123.591 0.557 . . . . 0.0 110.242 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -149.16 160.76 43.07 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 171.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.565 ' HB2' ' H ' ' D' 1592 ' ' TYR . 58.0 m -106.17 153.75 21.67 Favored 'General case' 0 C--N 1.271 -2.813 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.061 175.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.42 HG13 ' CD ' ' D' 1589 ' ' GLN . 3.5 t -133.74 102.17 4.4 Favored 'Isoleucine or valine' 0 C--N 1.281 -2.411 0 N-CA-C 106.533 -1.655 . . . . 0.0 106.533 167.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.656 ' O ' ' HA ' ' D' 1589 ' ' GLN . 52.9 mt -95.3 92.23 3.26 Favored 'Isoleucine or valine' 0 C--N 1.279 -2.458 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.524 ' O ' ' HA ' ' D' 1639 ' ' SER . 1.2 m -88.9 98.44 11.74 Favored 'General case' 0 C--N 1.277 -2.548 0 N-CA-C 108.379 -0.971 . . . . 0.0 108.379 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' D' 1587 ' ' VAL . 98.6 m-85 -75.78 121.96 23.34 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 175.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 89.7 t -113.4 126.31 70.81 Favored 'Isoleucine or valine' 0 C--N 1.248 -3.834 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.383 -173.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.565 ' HB3' ' O ' ' D' 1645 ' ' ALA . 7.7 p -68.16 103.55 1.58 Allowed 'General case' 0 C--N 1.287 -2.113 0 O-C-N 124.643 1.214 . . . . 0.0 110.311 179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.548 ' HG2' ' H ' ' D' 1617 ' ' GLU . 64.4 ttt180 -129.29 128.02 23.21 Favored Pre-proline 0 C--N 1.283 -2.295 0 N-CA-C 106.416 -1.698 . . . . 0.0 106.416 179.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -72.33 -11.5 26.76 Favored 'Trans proline' 0 N--CA 1.455 -0.775 0 C-N-CA 120.973 1.116 . . . . 0.0 110.677 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.548 ' H ' ' HG2' ' D' 1615 ' ' ARG . 11.8 mt-10 -99.25 146.92 25.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 105.781 -1.933 . . . . 0.0 105.781 176.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.1 170.15 9.47 Favored 'General case' 0 C--N 1.266 -3.042 0 CA-C-O 120.713 0.292 . . . . 0.0 110.629 -177.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -82.01 168.58 49.09 Favored Glycine 0 N--CA 1.437 -1.237 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.59 -39.77 20.13 Favored 'Trans proline' 0 CA--C 1.495 -1.429 0 C-N-CA 123.691 2.927 . . . . 0.0 109.251 179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 89.7 m -114.34 -43.51 3.19 Favored 'General case' 0 C--N 1.275 -2.633 0 CA-C-N 112.559 -2.11 . . . . 0.0 109.191 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . 0.27 65.0 m-80 88.43 68.33 0.01 OUTLIER 'General case' 0 CA--C 1.472 -2.031 0 CA-C-N 112.945 -1.934 . . . . 0.0 108.417 -175.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -125.23 165.81 24.1 Favored Pre-proline 0 C--N 1.278 -2.533 0 CA-C-N 111.598 -2.546 . . . . 0.0 108.531 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 35.6 Cg_endo -64.47 114.17 2.59 Favored 'Trans proline' 0 N--CA 1.438 -1.752 0 C-N-CA 121.756 1.638 . . . . 0.0 108.935 169.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 80.9 mmm -78.43 102.96 8.07 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.74 106.4 0.67 Allowed 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 178.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . . . . . . . . . 4.9 pt -80.6 -44.29 21.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 N-CA-C 113.005 0.742 . . . . 0.0 113.005 179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 33.6 t -162.84 143.44 9.59 Favored 'General case' 0 C--N 1.291 -1.942 0 C-N-CA 120.022 -0.671 . . . . 0.0 112.414 -176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . 0.6 HD22 ' OH ' ' D' 1542 ' ' TYR . 37.1 tp -96.86 133.47 41.43 Favored 'General case' 0 C--N 1.311 -1.104 0 N-CA-C 107.448 -1.316 . . . . 0.0 107.448 169.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 10.0 t70 -107.7 104.24 13.71 Favored 'General case' 0 C--N 1.287 -2.126 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 176.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -76.61 -17.39 59.2 Favored 'General case' 0 C--N 1.293 -1.86 0 C-N-CA 119.621 -0.831 . . . . 0.0 111.942 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 52.1 tp60 -76.86 -25.77 53.49 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.642 -175.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 16.6 p -132.56 10.14 4.36 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.456 1.122 . . . . 0.0 108.192 -178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.575 ' SG ' HD21 ' D' 1604 ' ' LEU . 55.3 m 46.38 52.35 10.76 Favored 'General case' 0 N--CA 1.418 -2.056 0 CA-C-N 112.236 -2.256 . . . . 0.0 113.962 178.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . . . . . . . . . 21.4 m -108.08 129.67 55.14 Favored 'General case' 0 C--N 1.264 -3.152 0 CA-C-N 114.086 -1.416 . . . . 0.0 110.041 -176.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.8 mp -100.09 107.7 19.66 Favored 'General case' 0 N--CA 1.422 -1.827 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -86.0 112.01 20.82 Favored 'General case' 0 N--CA 1.405 -2.717 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.385 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.422 ' HB3' ' HB2' ' D' 1624 ' ' PRO . 89.6 m-85 -108.99 146.23 34.23 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.524 ' HA ' ' O ' ' D' 1611 ' ' SER . 50.2 p -135.23 106.45 6.74 Favored 'General case' 0 C--N 1.264 -3.121 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.793 173.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . . . . . . . . . 3.5 t90 -90.35 101.65 14.38 Favored 'General case' 0 C--N 1.276 -2.595 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -83.55 106.56 15.38 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 106.71 -1.589 . . . . 0.0 106.71 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.447 ' HA ' ' HD3' ' D' 1643 ' ' PRO . 5.2 t -143.54 145.36 31.24 Favored Pre-proline 0 N--CA 1.414 -2.239 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.099 -173.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' D' 1642 ' ' THR . 32.5 Cg_exo -65.73 -12.16 33.91 Favored 'Trans proline' 0 C--N 1.32 -0.941 0 C-N-CA 123.966 3.111 . . . . 0.0 111.48 171.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 17.4 mt -64.01 -38.37 90.83 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 120.767 0.318 . . . . 0.0 111.757 177.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -92.45 15.5 13.91 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 -176.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 40.0 t -121.73 169.12 11.05 Favored 'General case' 0 N--CA 1.389 -3.506 0 N-CA-C 105.638 -1.986 . . . . 0.0 105.638 -174.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 8.7 tp10 170.3 -20.37 0.0 OUTLIER 'General case' 0 C--N 1.263 -3.161 0 O-C-N 125.116 1.51 . . . . 0.0 107.064 -169.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.531 ' HG2' HE22 ' D' 1586 ' ' GLN . 1.7 mp0 -71.09 -66.61 0.59 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.566 -1.197 . . . . 0.0 110.86 177.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -84.52 -27.85 27.1 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-N 114.929 -1.032 . . . . 0.0 112.038 -173.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 1.6 p -69.77 -19.55 63.51 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-O 122.112 0.958 . . . . 0.0 110.137 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 29.4 ttpp -93.83 -7.75 42.42 Favored 'General case' 0 C--N 1.29 -1.991 0 CA-C-N 113.981 -1.463 . . . . 0.0 110.128 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -95.4 -83.47 0.36 Allowed 'General case' 0 N--CA 1.433 -1.309 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.316 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.239 0 CA-C-N 119.316 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . 0.446 ' HB3' ' OE1' ' D' 1512 ' ' GLU . 8.8 m . . . . . 0 N--CA 1.439 -1.012 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -108.33 -3.31 18.45 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-O 123.105 1.431 . . . . 0.0 108.132 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' D' 1510 ' ' SER . 3.1 mp0 -103.46 -160.46 0.78 Allowed 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 112.826 -1.988 . . . . 0.0 106.764 -179.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -152.17 -83.17 0.09 Allowed 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 174.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . 0.503 ' HB2' ' NE2' ' D' 1517 ' ' GLN . 12.1 m-20 -96.78 14.96 23.34 Favored 'General case' 0 C--N 1.291 -1.969 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 176.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.45 ' O ' ' HG2' ' D' 1517 ' ' GLN . 7.5 m-20 72.21 167.55 0.31 Allowed 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 126.629 1.971 . . . . 0.0 111.31 -175.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . 0.65 ' HB3' ' SG ' ' D' 1553 ' ' CYS . 3.8 m 62.55 18.52 10.53 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.276 1.43 . . . . 0.0 110.537 178.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.512 ' HA ' ' O ' ' D' 1527 ' ' PHE . 10.9 pt20 -148.8 139.36 22.64 Favored 'General case' 0 N--CA 1.396 -3.131 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 -175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . 0.622 HG21 ' HA ' ' D' 1582 ' ' ARG . 4.4 p -143.35 164.75 15.54 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.161 0 O-C-N 123.636 0.585 . . . . 0.0 109.908 -176.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . 0.508 HG22 ' N ' ' D' 1526 ' ' LEU 0.268 0.8 OUTLIER -145.33 166.63 25.01 Favored 'General case' 0 CA--C 1.454 -2.716 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 -173.914 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.822 ' HB3' ' H ' ' D' 1524 ' ' GLY 0.251 10.5 t-20 -122.99 146.16 47.83 Favored Pre-proline 0 C--N 1.265 -3.087 1 N-CA-C 99.728 -4.175 . . . . 0.0 99.728 153.196 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -88.55 -14.49 3.07 Favored 'Trans proline' 0 C--N 1.284 -2.823 0 C-N-CA 121.268 1.312 . . . . 0.0 109.152 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . . . . . . . . . 13.7 m -113.33 -33.38 5.96 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 116.399 2.0 . . . . 0.0 116.399 -173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 54.5 m -138.64 -14.18 1.25 Allowed 'General case' 0 C--N 1.281 -2.37 0 CA-C-O 121.642 0.734 . . . . 0.0 111.207 -166.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . 0.822 ' H ' ' HB3' ' D' 1520 ' ' ASN . . . -149.15 55.33 0.49 Allowed Glycine 3 N--CA 1.369 -5.826 0 C-N-CA 117.926 -2.083 . . . . 0.0 111.045 -168.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -27.56 170.44 0.0 OUTLIER 'General case' 0 C--N 1.262 -3.22 0 C-N-CA 131.657 3.983 . . . . 0.0 115.689 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.508 ' N ' HG22 ' D' 1519 ' ' THR . 2.8 tm? -55.52 113.53 1.47 Allowed 'General case' 0 CA--C 1.508 -0.661 0 O-C-N 120.733 -1.229 . . . . 0.0 111.989 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' D' 1517 ' ' GLN . 51.2 m-85 -97.6 132.65 43.07 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 113.782 -1.553 . . . . 0.0 106.862 175.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -129.33 115.39 17.5 Favored 'General case' 0 C--N 1.269 -2.915 0 CA-C-O 122.279 1.037 . . . . 0.0 110.348 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 32.0 mt -104.45 19.37 20.42 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.32 -177.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.687 ' HA ' ' OG ' ' D' 1533 ' ' SER . 17.3 m -71.12 -12.39 61.47 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 121.251 0.548 . . . . 0.0 112.357 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 14.8 m -81.79 -10.44 59.34 Favored 'General case' 0 C--N 1.307 -1.252 0 CA-C-O 122.178 0.989 . . . . 0.0 108.753 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.467 HD12 ' HB3' ' D' 1529 ' ' LEU . 88.3 mt -100.61 -17.19 17.17 Favored 'General case' 0 N--CA 1.436 -1.158 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.366 176.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.687 ' OG ' ' HA ' ' D' 1530 ' ' SER . 8.2 m -69.57 166.08 19.71 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.745 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 122.42 159.09 10.48 Favored Glycine 0 CA--C 1.483 -1.957 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.913 177.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' D' 1555 ' ' GLU . 58.7 mtp180 -66.35 -19.06 65.7 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 -176.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -65.42 -57.66 7.78 Favored 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.438 ' HA3' ' HA ' ' D' 1551 ' ' SER . . . 67.06 -159.64 49.4 Favored Glycine 0 N--CA 1.426 -2.029 0 CA-C-N 114.502 -1.226 . . . . 0.0 111.534 176.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -126.01 -175.02 3.24 Favored 'General case' 0 CA--C 1.476 -1.868 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.385 178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.602 ' O ' ' HD2' ' D' 1623 ' ' ARG . 11.9 p -122.58 152.68 40.18 Favored 'General case' 0 C--N 1.264 -3.119 0 CA-C-N 114.925 -1.034 . . . . 0.0 108.903 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . 0.444 ' HB3' ' HB ' ' D' 1548 ' ' VAL . . . -134.68 127.53 31.25 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 106.402 -1.703 . . . . 0.0 106.402 173.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -77.58 110.74 12.64 Favored 'General case' 0 C--N 1.278 -2.503 0 C-N-CA 119.29 -0.964 . . . . 0.0 111.071 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 29.9 t80 -85.43 103.11 14.02 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 106.695 -1.594 . . . . 0.0 106.695 175.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 20.2 m 56.43 -144.15 0.68 Allowed 'General case' 0 C--N 1.297 -1.7 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.702 -174.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.27 2.8 24.86 Favored 'General case' 0 C--N 1.285 -2.222 0 C-N-CA 123.332 0.653 . . . . 0.0 111.122 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 23.2 pttp -121.79 -30.65 4.1 Favored 'General case' 0 CA--C 1.479 -1.755 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.586 -171.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . . . . . . . . . . . -110.33 158.35 14.49 Favored Glycine 0 C--N 1.263 -3.519 0 CA-C-N 114.859 -1.064 . . . . 0.0 112.542 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 89.6 mt -135.55 145.17 46.72 Favored 'General case' 0 C--N 1.277 -2.568 0 N-CA-C 106.904 -1.517 . . . . 0.0 106.904 174.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' D' 1540 ' ' ALA . 43.4 t -104.24 143.6 15.67 Favored 'Isoleucine or valine' 0 C--N 1.265 -3.086 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -118.87 114.2 22.25 Favored 'General case' 0 CA--C 1.471 -2.08 0 N-CA-C 103.237 -2.875 . . . . 0.0 103.237 179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 26.0 ptm -151.52 124.2 8.48 Favored 'General case' 0 C--N 1.281 -2.377 0 C-N-CA 118.686 -1.206 . . . . 0.0 112.641 -169.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.438 ' HA ' ' HA3' ' D' 1537 ' ' GLY . 5.2 p -94.64 139.73 30.81 Favored 'General case' 1 C--N 1.243 -4.042 0 CA-C-N 115.15 -0.932 . . . . 0.0 112.848 179.675 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.637 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 1.7 mp -75.86 118.79 22.64 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.746 -1.115 . . . . 0.0 111.037 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.65 ' SG ' ' HB3' ' D' 1516 ' ' CYS . 12.4 p 54.22 22.29 3.55 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 126.339 1.856 . . . . 0.0 114.944 174.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -154.71 175.75 32.69 Favored Glycine 0 CA--C 1.481 -2.044 0 N-CA-C 108.865 -1.694 . . . . 0.0 108.865 178.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.568 ' O ' ' HA ' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.5 152.23 28.81 Favored 'General case' 0 CA--C 1.478 -1.798 0 CA-C-N 118.367 1.083 . . . . 0.0 111.23 -178.045 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.455 ' HB3' ' SG ' ' D' 1559 ' ' CYS . 9.4 t-20 -100.19 157.15 16.79 Favored 'General case' 0 C--N 1.277 -2.568 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.62 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -72.06 -25.93 61.98 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.14 -3.05 58.12 Favored 'General case' 0 C--N 1.291 -1.978 0 CA-C-O 123.887 1.803 . . . . 0.0 107.61 -177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.593 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.1 m -107.34 150.52 40.11 Favored Pre-proline 0 C--N 1.258 -3.376 0 CA-C-N 112.497 -2.138 . . . . 0.0 109.437 -178.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.45 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 8.1 Cg_exo -78.59 170.34 18.43 Favored 'Trans proline' 0 C--O 1.252 1.194 0 C-N-CA 122.208 1.939 . . . . 0.0 109.434 173.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.48 106.57 0.15 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.012 2.475 . . . . 0.0 112.335 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 121.28 -23.19 7.7 Favored Glycine 0 N--CA 1.426 -2.032 0 CA-C-N 115.634 -0.712 . . . . 0.0 112.586 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.593 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 70.4 t -92.36 129.72 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.527 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.451 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -110.72 -5.55 27.45 Favored Glycine 0 N--CA 1.418 -2.504 0 C-N-CA 118.855 -1.64 . . . . 0.0 112.274 -174.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.29 138.16 16.26 Favored 'General case' 0 C--N 1.302 -1.479 0 CA-C-O 120.83 0.347 . . . . 0.0 111.454 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' D' 1573 ' ' SER . 15.8 t -149.42 179.09 8.22 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -101.57 135.46 43.04 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.22 -31.6 79.64 Favored Glycine 0 N--CA 1.435 -1.388 0 O-C-N 123.802 0.689 . . . . 0.0 112.119 -178.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.0 -47.96 4.82 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.026 0.441 . . . . 0.0 111.264 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 3.7 m -74.91 -30.07 61.16 Favored 'General case' 0 C--N 1.293 -1.874 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 -173.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 13.6 mmt85 66.99 11.67 8.52 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 123.89 0.876 . . . . 0.0 113.167 175.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.429 HG23 ' HB3' ' D' 1596 ' ' SER . 1.7 mp -91.59 120.46 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.552 0 N-CA-C 107.402 -1.333 . . . . 0.0 107.402 171.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.482 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 6.5 m -60.37 129.5 41.93 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.225 0.536 . . . . 0.0 110.507 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.433 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 26.8 m -105.48 6.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.217 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 172.63 152.07 8.38 Favored Glycine 0 N--CA 1.431 -1.671 0 C-N-CA 118.605 -1.76 . . . . 0.0 114.754 175.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.519 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 65.7 mmtt -93.42 141.58 28.29 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 123.771 0.828 . . . . 0.0 109.342 176.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -51.74 128.11 22.67 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.113 0.565 . . . . 0.0 111.091 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . 0.437 ' O ' ' HA ' ' D' 1553 ' ' CYS . 37.2 m-80 -148.11 136.25 21.21 Favored 'General case' 0 CA--C 1.481 -1.679 0 N-CA-C 107.404 -1.332 . . . . 0.0 107.404 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.49 ' HB2' ' SG ' ' D' 1516 ' ' CYS . 50.4 pttt -116.51 21.15 13.71 Favored 'General case' 0 C--N 1.284 -2.247 0 CA-C-O 122.325 1.059 . . . . 0.0 111.17 -171.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.424 HH11 ' HD3' ' D' 1580 ' ' ARG . 2.4 mmp_? -82.59 80.45 8.71 Favored 'General case' 0 C--N 1.281 -2.391 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.98 178.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.541 HD11 ' HB3' ' D' 1588 ' ' LEU . 22.1 tp -82.85 127.08 33.15 Favored 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . 0.622 ' HA ' HG21 ' D' 1518 ' ' VAL . 0.0 OUTLIER -133.35 143.95 49.3 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.187 -1.005 . . . . 0.0 111.052 176.551 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.697 ' HE2' ' HB2' ' D' 1520 ' ' ASN . 2.9 t80 -87.84 109.84 20.06 Favored 'General case' 0 C--N 1.292 -1.909 0 N-CA-C 106.163 -1.792 . . . . 0.0 106.163 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' D' 1587 ' ' VAL . 2.5 p -128.62 93.82 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.262 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -172.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 33.1 t70 61.11 52.97 3.77 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.933 174.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 74.41 -5.19 2.15 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.938 1.295 . . . . 0.0 112.732 -179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.46 ' HB ' ' O ' ' D' 1584 ' ' VAL . 88.4 t -101.54 158.25 4.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.541 ' HB3' HD11 ' D' 1581 ' ' LEU . 3.4 mt -121.63 122.34 39.41 Favored 'General case' 0 C--N 1.276 -2.609 0 N-CA-C 104.005 -2.591 . . . . 0.0 104.005 173.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.6 ' HA ' ' O ' ' D' 1610 ' ' ILE . 28.4 tt0 -125.02 138.82 54.21 Favored 'General case' 0 C--N 1.265 -3.081 0 C-N-CA 116.287 -2.165 . . . . 0.0 113.125 -174.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.45 ' HB2' ' HB ' ' D' 1610 ' ' ILE . 26.7 mt -115.75 153.23 31.77 Favored 'General case' 0 CA--C 1.472 -2.023 0 CA-C-N 114.342 -1.299 . . . . 0.0 108.044 175.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.577 ' HA ' ' O ' ' D' 1608 ' ' SER . 95.4 t -141.56 120.73 10.58 Favored 'Isoleucine or valine' 0 C--N 1.275 -2.667 0 N-CA-C 107.046 -1.464 . . . . 0.0 107.046 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.637 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 16.1 m-30 -103.64 93.44 4.92 Favored 'General case' 0 N--CA 1.4 -2.966 0 N-CA-C 105.231 -2.137 . . . . 0.0 105.231 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' D' 1607 ' ' LYS . 66.8 mttt -91.34 179.86 5.58 Favored 'General case' 0 CA--C 1.485 -1.551 0 N-CA-C 110.178 -0.305 . . . . 0.0 110.178 -172.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 53.4 m-20 52.54 30.35 8.37 Favored 'General case' 0 CA--C 1.5 -0.974 0 O-C-N 125.528 1.767 . . . . 0.0 112.763 169.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -41.81 -105.42 0.01 OUTLIER Glycine 0 N--CA 1.484 1.871 0 O-C-N 124.978 1.424 . . . . 0.0 115.94 -175.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . 0.429 ' HB3' HG23 ' D' 1572 ' ' ILE . 34.9 t -113.99 150.23 43.2 Favored Pre-proline 1 C--N 1.229 -4.666 0 N-CA-C 105.923 -1.88 . . . . 0.0 105.923 170.562 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -53.52 121.65 9.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 C-N-CA 122.097 1.864 . . . . 0.0 109.034 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 48.9 t -80.37 126.74 78.18 Favored Pre-proline 0 N--CA 1.41 -2.436 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.363 -170.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -58.66 -25.59 75.84 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 124.127 3.218 . . . . 0.0 113.431 175.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 35.1 t -53.9 -31.47 50.14 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.623 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.526 ' HG3' ' H ' ' D' 1602 ' ' SER . 1.3 tppp? -155.83 -149.18 0.25 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 -178.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.526 ' H ' ' HG3' ' D' 1601 ' ' LYS . 46.0 m -141.13 109.65 5.96 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 118.56 0.618 . . . . 0.0 109.958 -176.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 102.14 21.2 11.13 Favored Glycine 0 CA--C 1.473 -2.54 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.626 HD21 ' SG ' ' D' 1634 ' ' CYS . 15.6 tp -121.68 164.16 17.83 Favored 'General case' 0 N--CA 1.389 -3.503 0 CA-C-N 111.951 -2.124 . . . . 0.0 107.208 -177.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . 0.401 ' H ' HD12 ' D' 1604 ' ' LEU . 3.5 m -152.04 168.12 26.25 Favored 'General case' 0 C--N 1.275 -2.636 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 -173.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.433 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 71.2 m-85 -91.16 157.69 17.05 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 120.411 -0.515 . . . . 0.0 109.747 176.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.541 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -141.28 155.28 46.01 Favored 'General case' 0 N--CA 1.417 -2.108 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 170.061 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.577 ' O ' ' HA ' ' D' 1591 ' ' VAL . 46.1 m -101.37 150.91 22.53 Favored 'General case' 0 C--N 1.256 -3.462 0 CA-C-N 114.971 -1.013 . . . . 0.0 110.472 173.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.489 HG22 HG22 ' D' 1591 ' ' VAL . 3.3 t -128.48 103.85 10.53 Favored 'Isoleucine or valine' 0 C--N 1.269 -2.931 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 168.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.6 ' O ' ' HA ' ' D' 1589 ' ' GLN . 2.7 mp -99.65 90.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.367 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.54 ' O ' ' HA ' ' D' 1639 ' ' SER . 27.5 p -92.04 100.22 12.9 Favored 'General case' 0 C--N 1.269 -2.899 0 C-N-CA 119.066 -1.054 . . . . 0.0 109.463 179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 91.3 m-85 -76.68 121.36 23.14 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 107.286 -1.376 . . . . 0.0 107.286 178.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 86.2 t -109.29 133.23 55.15 Favored 'Isoleucine or valine' 0 C--N 1.253 -3.617 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.619 -172.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.522 ' HB3' ' O ' ' D' 1645 ' ' ALA . 9.5 p -67.91 102.91 1.35 Allowed 'General case' 0 N--CA 1.412 -2.328 0 CA-C-N 114.16 -1.382 . . . . 0.0 110.729 -179.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' D' 1641 ' ' HIS . 29.0 ttt180 -127.43 122.54 22.84 Favored Pre-proline 0 C--N 1.287 -2.119 0 N-CA-C 105.255 -2.128 . . . . 0.0 105.255 176.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD2' ' OE1' ' D' 1617 ' ' GLU . 16.9 Cg_exo -65.12 -20.9 63.28 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 121.331 1.354 . . . . 0.0 111.142 177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.401 ' OE1' ' HD2' ' D' 1616 ' ' PRO . 1.1 pm0 -101.6 159.67 15.1 Favored 'General case' 0 N--CA 1.419 -1.98 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.042 172.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -89.59 -170.91 3.0 Favored 'General case' 0 C--N 1.274 -2.697 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.538 -177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . . . . . . . . . . . -94.82 173.15 31.79 Favored Glycine 0 N--CA 1.437 -1.253 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.84 -41.23 24.7 Favored 'Trans proline' 0 CA--C 1.497 -1.34 0 C-N-CA 123.254 2.636 . . . . 0.0 108.118 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . 0.444 HG22 ' HG2' ' D' 1623 ' ' ARG . 93.4 m -112.87 -29.59 7.33 Favored 'General case' 0 C--N 1.29 -2.018 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.9 179.073 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 64.6 t30 76.68 60.99 0.04 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-O 123.152 1.454 . . . . 0.0 108.086 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.602 ' HD2' ' O ' ' D' 1539 ' ' THR . 78.9 mmt-85 -124.36 165.27 25.4 Favored Pre-proline 0 C--N 1.307 -1.242 0 CA-C-N 112.015 -2.357 . . . . 0.0 110.416 178.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . 0.444 ' HG2' ' HB2' ' D' 1540 ' ' ALA . 18.0 Cg_endo -67.2 115.0 3.42 Favored 'Trans proline' 0 N--CA 1.434 -1.995 0 N-CA-C 107.863 -1.63 . . . . 0.0 107.863 168.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . 0.463 ' HG2' ' O ' ' D' 1639 ' ' SER . 11.4 mmt -77.46 112.9 14.7 Favored 'General case' 0 C--N 1.302 -1.492 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 -176.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 67.3 tp -71.23 110.09 5.66 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.195 -0.602 . . . . 0.0 109.637 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.44 HD12 ' HB3' ' D' 1637 ' ' PHE . 58.1 mt -65.76 -57.52 10.41 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 27.4 t -177.47 158.92 1.46 Allowed 'General case' 0 C--N 1.305 -1.351 0 CA-C-N 114.467 -1.242 . . . . 0.0 111.036 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . 0.421 HD13 ' HG ' ' D' 1636 ' ' LEU . 29.2 tp -97.35 139.87 32.65 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 172.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -108.76 111.26 22.93 Favored 'General case' 0 CA--C 1.474 -1.971 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 173.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.8 pttp -80.26 -8.46 59.47 Favored 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 118.61 -1.236 . . . . 0.0 112.031 -178.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -76.13 -38.22 57.08 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.458 0.647 . . . . 0.0 111.798 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 23.0 p -118.24 -4.83 10.92 Favored 'General case' 0 C--N 1.282 -2.352 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -176.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.626 ' SG ' HD21 ' D' 1604 ' ' LEU . 55.8 m 60.27 47.59 8.98 Favored 'General case' 0 N--CA 1.387 -3.595 0 CA-C-N 112.818 -1.992 . . . . 0.0 111.301 177.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.541 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.2 m -105.38 124.75 50.07 Favored 'General case' 0 C--N 1.277 -2.558 0 CA-C-N 113.399 -1.728 . . . . 0.0 109.372 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . 0.421 ' HG ' HD13 ' D' 1629 ' ' LEU . 6.2 mp -97.1 106.39 18.71 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 106.735 -1.58 . . . . 0.0 106.735 174.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . 0.44 ' HB3' HD12 ' D' 1627 ' ' ILE . 58.9 m-85 -85.97 109.14 18.56 Favored 'General case' 0 C--N 1.285 -2.23 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.548 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.478 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 88.0 m-85 -111.45 142.28 43.91 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.54 ' HA ' ' O ' ' D' 1611 ' ' SER . 41.9 p -129.27 105.57 8.23 Favored 'General case' 0 C--N 1.258 -3.396 0 CA-C-O 121.521 0.677 . . . . 0.0 110.27 172.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.463 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -88.36 103.41 15.8 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . 0.54 ' HB3' ' HD2' ' D' 1615 ' ' ARG . 38.0 m170 -82.58 108.06 15.69 Favored 'General case' 0 C--N 1.292 -1.903 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.463 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 5.0 t -149.76 148.05 24.41 Favored Pre-proline 0 N--CA 1.423 -1.805 0 CA-C-O 121.437 0.637 . . . . 0.0 111.265 -171.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.919 ' HA ' ' SG ' ' D' 1646 ' ' CYS . 83.2 Cg_exo -57.61 -12.81 12.19 Favored 'Trans proline' 0 N--CA 1.455 -0.744 0 C-N-CA 125.121 3.881 . . . . 0.0 112.967 169.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -69.7 -30.34 67.96 Favored 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 176.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.522 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -97.69 11.02 38.49 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 120.804 -0.358 . . . . 0.0 111.687 -176.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . 0.919 ' SG ' ' HA ' ' D' 1643 ' ' PRO . 26.6 p -127.2 165.18 20.09 Favored 'General case' 0 N--CA 1.396 -3.148 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -174.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -174.17 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.256 -3.468 0 CA-C-N 114.353 -1.294 . . . . 0.0 108.382 -169.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . . . . . . . . . 15.4 mp0 -62.91 -66.42 0.54 Allowed 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 113.708 -1.587 . . . . 0.0 112.165 -176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -92.3 -8.69 44.46 Favored 'General case' 0 CA--C 1.495 -1.155 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.754 -175.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 3.4 m -65.25 -7.74 14.46 Favored 'General case' 0 C--N 1.296 -1.731 0 CA-C-O 122.579 1.181 . . . . 0.0 111.706 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -86.98 -7.45 58.15 Favored 'General case' 0 C--N 1.281 -2.387 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.89 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -100.76 -84.16 0.43 Allowed 'General case' 0 N--CA 1.419 -2.007 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.249 -3.794 0 CA-C-N 119.122 0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D 1510 ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.444 -0.736 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D 1511 ' ' ASN . . . . . . . . . . . . . 76.7 m-20 68.8 90.43 0.1 Allowed 'General case' 0 C--O 1.255 1.375 0 C-N-CA 123.928 0.891 . . . . 0.0 108.936 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1512 ' ' GLU . . . . . 0.509 ' OE1' ' HB2' ' D' 1580 ' ' ARG 0.303 1.8 pm0 45.43 -175.13 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.469 0 CA-C-N 114.3 -1.318 . . . . 0.0 113.198 -171.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1513 ' ' HIS . . . . . . . . . . . . . 22.2 t60 -168.1 -84.15 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.896 -1.128 . . . . 0.0 110.158 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1514 ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.32 -15.68 57.55 Favored 'General case' 0 C--N 1.286 -2.183 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.123 177.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1515 ' ' ASP . . . . . 0.478 ' CB ' ' HD3' ' D' 1579 ' ' LYS . 49.8 m-20 75.69 159.76 0.22 Allowed 'General case' 0 CA--C 1.49 -1.331 0 CA-C-N 112.945 -1.934 . . . . 0.0 109.39 -175.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1516 ' ' CYS . . . . . . . . . . . . . 10.4 p 55.34 4.6 0.1 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.45 1.9 . . . . 0.0 112.795 -173.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1517 ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' D' 1527 ' ' PHE . 43.4 mt-30 -145.1 139.56 27.43 Favored 'General case' 0 N--CA 1.394 -3.263 0 N-CA-C 106.849 -1.538 . . . . 0.0 106.849 -174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1518 ' ' VAL . . . . . . . . . . . . . 6.6 p -137.51 146.79 27.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.999 0 O-C-N 123.72 0.637 . . . . 0.0 110.163 177.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1519 ' ' THR . . . . . . . . . . . . . 7.4 p -91.12 132.18 36.22 Favored 'General case' 0 N--CA 1.401 -2.908 0 N-CA-C 114.395 1.257 . . . . 0.0 114.395 -173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1520 ' ' ASN . . . . . 0.473 HD21 ' HB3' ' D' 1647 ' ' GLU 0.264 14.7 m120 -57.61 137.47 82.28 Favored Pre-proline 0 CA--C 1.505 -0.762 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 163.36 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1521 ' ' PRO . . . . . 0.456 ' CD ' ' H ' ' D' 1522 ' ' SER . 19.8 Cg_endo -92.46 -9.82 2.31 Favored 'Trans proline' 0 C--N 1.303 -1.829 0 N-CA-C 107.319 -1.839 . . . . 0.0 107.319 173.511 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1522 ' ' SER . . . . . 0.456 ' H ' ' CD ' ' D' 1521 ' ' PRO . 64.9 p -91.08 -20.1 22.42 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.841 -176.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1523 ' ' THR . . . . . . . . . . . . . 5.3 m -136.16 -34.69 0.79 Allowed 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 114.883 -1.053 . . . . 0.0 109.667 -169.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1524 ' ' GLY . . . . . . . . . . . . . . . 80.53 22.9 61.36 Favored Glycine 0 N--CA 1.415 -2.721 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.945 -177.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1525 ' ' HIS . . . . . 0.401 ' H ' ' HB2' ' D' 1520 ' ' ASN . 19.6 t-80 -104.79 141.96 35.57 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 114.86 -0.67 . . . . 0.0 109.98 -178.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1526 ' ' LEU . . . . . 0.437 HD22 ' HB3' ' D' 1517 ' ' GLN . 47.3 mt -80.85 136.06 36.03 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-O 121.643 0.735 . . . . 0.0 112.402 176.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1527 ' ' PHE . . . . . 0.589 ' O ' ' HA ' ' D' 1517 ' ' GLN . 92.6 m-85 -92.64 148.37 22.12 Favored 'General case' 0 CA--C 1.464 -2.359 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 167.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1528 ' ' ASP . . . . . 0.523 ' HB2' ' HG2' ' D' 1517 ' ' GLN . 0.1 OUTLIER -138.01 135.2 35.69 Favored 'General case' 0 C--N 1.273 -2.741 0 C-N-CA 117.824 -1.55 . . . . 0.0 110.64 178.632 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1529 ' ' LEU . . . . . 0.573 HD13 ' CZ ' ' D' 1612 ' ' PHE . 16.7 mt -110.24 11.39 23.56 Favored 'General case' 0 C--N 1.273 -2.75 0 CA-C-N 114.859 -1.064 . . . . 0.0 108.851 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1530 ' ' SER . . . . . 0.574 ' HA ' ' OG ' ' D' 1533 ' ' SER . 5.2 p -70.05 -18.81 63.3 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.535 0.683 . . . . 0.0 111.865 176.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1531 ' ' SER . . . . . . . . . . . . . 30.0 t -73.04 -15.19 61.52 Favored 'General case' 0 C--N 1.308 -1.214 0 CA-C-O 122.097 0.951 . . . . 0.0 108.712 172.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1532 ' ' LEU . . . . . 0.434 HD12 ' HB3' ' D' 1529 ' ' LEU . 87.8 mt -100.9 -15.4 17.56 Favored 'General case' 0 C--N 1.311 -1.065 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.761 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1533 ' ' SER . . . . . 0.574 ' OG ' ' HA ' ' D' 1530 ' ' SER . 48.2 m -64.6 172.14 2.86 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -179.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1534 ' ' GLY . . . . . . . . . . . . . . . 126.99 170.22 12.84 Favored Glycine 0 N--CA 1.432 -1.616 0 N-CA-C 108.944 -1.663 . . . . 0.0 108.944 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1535 ' ' ARG . . . . . 0.595 ' HG2' ' N ' ' D' 1557 ' ' GLU . 52.0 ttt180 -88.5 -12.75 42.04 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-N 117.658 0.729 . . . . 0.0 110.84 -177.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1536 ' ' ALA . . . . . . . . . . . . . . . -68.24 -49.38 61.04 Favored 'General case' 0 C--N 1.311 -1.088 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1537 ' ' GLY . . . . . 0.425 ' CA ' ' HA ' ' D' 1551 ' ' SER . . . 67.33 -158.25 51.06 Favored Glycine 0 N--CA 1.423 -2.198 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.205 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1538 ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -124.84 -175.2 3.22 Favored 'General case' 0 CA--C 1.472 -2.05 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1539 ' ' THR . . . . . 0.553 ' O ' ' HD2' ' D' 1623 ' ' ARG . 22.1 p -130.79 159.55 37.0 Favored 'General case' 0 C--N 1.262 -3.227 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.769 -177.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1540 ' ' ALA . . . . . . . . . . . . . . . -142.9 116.08 8.94 Favored 'General case' 0 C--N 1.282 -2.343 0 N-CA-C 106.42 -1.696 . . . . 0.0 106.42 173.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1541 ' ' ALA . . . . . . . . . . . . . . . -65.95 123.52 20.05 Favored 'General case' 0 C--N 1.282 -2.359 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1542 ' ' TYR . . . . . . . . . . . . . 6.5 t80 -102.29 93.78 5.37 Favored 'General case' 0 N--CA 1.436 -1.144 0 N-CA-C 104.996 -2.224 . . . . 0.0 104.996 173.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1543 ' ' SER . . . . . . . . . . . . . 95.4 p 47.26 -125.99 1.64 Allowed 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.943 -1.48 . . . . 0.0 113.488 -173.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1544 ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -106.89 -14.39 14.98 Favored 'General case' 0 C--N 1.296 -1.759 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.783 -175.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1545 ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -96.95 -27.33 14.69 Favored 'General case' 0 CA--C 1.467 -2.231 0 CA-C-N 114.578 -1.192 . . . . 0.0 110.589 -163.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1546 ' ' GLY . . . . . 0.623 ' HA2' ' NE2' ' D' 1569 ' ' GLN . . . -155.7 173.14 33.79 Favored Glycine 0 N--CA 1.405 -3.422 0 C-N-CA 118.522 -1.799 . . . . 0.0 114.481 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1547 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.85 160.26 39.42 Favored 'General case' 0 C--N 1.247 -3.875 0 CA-C-N 113.246 -1.477 . . . . 0.0 108.202 170.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1548 ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' D' 1539 ' ' THR . 39.7 t -101.19 147.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.252 -3.644 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 176.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1549 ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -122.14 113.86 20.09 Favored 'General case' 0 CA--C 1.448 -2.974 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 176.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1550 ' ' MET . . . . . . . . . . . . . 23.4 ptm -148.28 119.22 7.63 Favored 'General case' 0 C--N 1.263 -3.166 0 C-N-CA 118.96 -1.096 . . . . 0.0 112.195 -169.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1551 ' ' SER . . . . . 0.425 ' HA ' ' CA ' ' D' 1537 ' ' GLY . 4.2 p -93.56 140.48 29.56 Favored 'General case' 1 C--N 1.234 -4.423 0 CA-C-N 114.864 -1.062 . . . . 0.0 112.097 -178.491 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1552 ' ' ILE . . . . . 0.595 ' HA ' ' OH ' ' D' 1592 ' ' TYR . 46.9 mm -82.75 115.35 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.006 0 CA-C-N 114.505 -1.225 . . . . 0.0 110.783 -175.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1553 ' ' CYS . . . . . 0.414 ' SG ' HG22 ' D' 1552 ' ' ILE 0.289 4.7 p 56.07 31.57 18.38 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.303 1.441 . . . . 0.0 114.259 177.01 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1554 ' ' GLY . . . . . . . . . . . . . . . -161.96 171.64 37.92 Favored Glycine 0 CA--C 1.492 -1.372 0 N-CA-C 108.664 -1.774 . . . . 0.0 108.664 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1555 ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' D' 1535 ' ' ARG . 0.2 OUTLIER -80.27 158.91 26.03 Favored 'General case' 0 CA--C 1.48 -1.731 0 CA-C-N 119.137 1.469 . . . . 0.0 110.419 179.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1556 ' ' ASN . . . . . 0.508 ' O ' ' HB2' ' D' 1559 ' ' CYS . 9.0 t-20 -104.89 151.83 23.38 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-N 114.757 -1.11 . . . . 0.0 111.168 -175.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1557 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' D' 1535 ' ' ARG . 9.6 tp10 -70.3 -22.56 62.83 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 124.321 1.048 . . . . 0.0 112.989 -175.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1558 ' ' ASN . . . . . 0.451 HD22 ' HB3' ' D' 1566 ' ' CYS . 8.1 t30 -88.81 -8.3 54.61 Favored 'General case' 0 C--N 1.287 -2.149 0 CA-C-O 123.446 1.594 . . . . 0.0 108.111 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1559 ' ' CYS . . . . . 0.622 ' HB3' ' HB ' ' D' 1563 ' ' VAL . 72.0 m -106.3 152.28 40.48 Favored Pre-proline 0 N--CA 1.393 -3.276 0 CA-C-N 112.269 -2.241 . . . . 0.0 109.167 -176.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1560 ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' D' 1563 ' ' VAL . 16.6 Cg_exo -73.78 159.97 44.44 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 121.748 1.632 . . . . 0.0 108.204 173.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1561 ' ' PRO . . . . . 0.431 ' HA ' ' HG3' ' D' 1555 ' ' GLU . 72.0 Cg_exo -52.95 106.52 0.15 Allowed 'Trans proline' 0 C--N 1.348 0.544 0 C-N-CA 122.434 2.089 . . . . 0.0 111.814 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1562 ' ' GLY . . . . . . . . . . . . . . . 129.46 -30.76 3.56 Favored Glycine 0 N--CA 1.434 -1.473 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.842 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1563 ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' D' 1559 ' ' CYS . 75.0 t -88.29 128.82 40.32 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 -179.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1564 ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' D' 1555 ' ' GLU . . . -108.49 -5.38 31.98 Favored Glycine 0 N--CA 1.42 -2.432 0 C-N-CA 118.995 -1.574 . . . . 0.0 112.18 -173.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1565 ' ' ALA . . . . . . . . . . . . . . . -154.77 129.46 9.27 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 122.386 0.274 . . . . 0.0 110.497 -177.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1566 ' ' CYS . . . . . 0.57 ' HB2' ' SG ' ' D' 1559 ' ' CYS . 6.1 t -150.47 -178.42 6.53 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1567 ' ' PHE . . . . . 0.428 ' CD2' ' HB ' ' D' 1572 ' ' ILE . 15.5 m-85 -101.7 145.43 29.12 Favored 'General case' 0 C--N 1.305 -1.346 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1568 ' ' GLY . . . . . . . . . . . . . . . -66.34 -48.41 64.04 Favored Glycine 0 CA--C 1.495 -1.159 0 O-C-N 124.191 0.932 . . . . 0.0 114.571 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1569 ' ' GLN . . . . . 0.623 ' NE2' ' HA2' ' D' 1546 ' ' GLY . 1.6 mp0 -85.56 -47.15 10.15 Favored 'General case' 0 C--N 1.308 -1.2 0 CA-C-O 121.922 0.868 . . . . 0.0 111.817 -179.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1570 ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.74 -28.22 28.38 Favored 'General case' 0 C--N 1.27 -2.856 0 N-CA-C 116.879 2.177 . . . . 0.0 116.879 -172.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1571 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.0 31.69 11.03 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 122.421 1.105 . . . . 0.0 111.568 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1572 ' ' ILE . . . . . 0.428 ' HB ' ' CD2' ' D' 1567 ' ' PHE . 93.7 mt -90.89 111.65 23.96 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.958 0 CA-C-N 113.51 -1.677 . . . . 0.0 107.032 171.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1573 ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' D' 1566 ' ' CYS . 24.9 m -66.52 124.55 23.1 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.385 0.612 . . . . 0.0 110.165 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1574 ' ' VAL . . . . . 0.417 ' HA ' ' HB2' ' D' 1606 ' ' TYR . 27.8 m -108.51 16.33 7.51 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.884 0 CA-C-O 121.577 0.704 . . . . 0.0 110.429 -178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1575 ' ' GLY . . . . . . . . . . . . . . . 160.97 151.9 6.4 Favored Glycine 0 N--CA 1.427 -1.91 0 C-N-CA 119.475 -1.345 . . . . 0.0 114.494 175.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1576 ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' D' 1563 ' ' VAL . 45.7 mmtm -93.33 145.51 24.41 Favored 'General case' 0 C--N 1.29 -2.005 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 175.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1577 ' ' ALA . . . . . . . . . . . . . . . -54.68 131.92 44.48 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 123.392 0.432 . . . . 0.0 110.604 173.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1578 ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -147.7 140.18 24.56 Favored 'General case' 0 CA--C 1.468 -2.182 0 N-CA-C 106.446 -1.686 . . . . 0.0 106.446 177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1579 ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' D' 1515 ' ' ASP . 0.0 OUTLIER -116.8 22.57 12.56 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -171.612 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1580 ' ' ARG . . . . . 0.509 ' HB2' ' OE1' ' D' 1512 ' ' GLU . 14.0 ptm180 -93.29 86.07 5.2 Favored 'General case' 0 C--N 1.274 -2.679 0 CA-C-O 122.115 0.959 . . . . 0.0 110.731 -178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1581 ' ' LEU . . . . . 0.64 HD11 ' HB3' ' D' 1588 ' ' LEU . 30.2 tp -77.65 126.25 30.59 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.557 178.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1582 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -126.99 152.0 47.8 Favored 'General case' 0 N--CA 1.422 -1.839 0 C-N-CA 119.489 -0.884 . . . . 0.0 110.782 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1583 ' ' TYR . . . . . 0.41 ' CE2' ' HD3' ' D' 1521 ' ' PRO . 4.3 t80 -99.0 128.05 45.05 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 106.591 -1.633 . . . . 0.0 106.591 -177.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1584 ' ' VAL . . . . . 0.455 ' O ' ' HB ' ' D' 1587 ' ' VAL . 4.0 p -146.07 93.58 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.355 0 CA-C-O 121.438 0.637 . . . . 0.0 110.786 -175.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1585 ' ' ASP . . . . . . . . . . . . . 23.9 t70 60.54 53.14 4.24 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.095 175.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1586 ' ' GLN . . . . . 0.56 ' HB3' ' SG ' ' D' 1614 ' ' CYS . 71.4 mt-30 76.47 -11.16 1.2 Allowed 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 125.224 1.41 . . . . 0.0 112.247 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1587 ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' D' 1584 ' ' VAL . 84.6 t -94.29 154.96 3.26 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.954 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1588 ' ' LEU . . . . . 0.64 ' HB3' HD11 ' D' 1581 ' ' LEU . 6.6 mt -120.44 135.84 54.93 Favored 'General case' 0 C--N 1.268 -2.944 0 N-CA-C 103.945 -2.613 . . . . 0.0 103.945 172.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1589 ' ' GLN . . . . . 0.677 ' HA ' ' O ' ' D' 1610 ' ' ILE . 35.9 tt0 -138.46 137.83 37.54 Favored 'General case' 0 C--N 1.276 -2.603 0 C-N-CA 116.921 -1.912 . . . . 0.0 112.437 -174.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1590 ' ' LEU . . . . . 0.433 ' CD2' ' HA ' ' D' 1581 ' ' LEU . 13.7 mt -114.96 153.76 30.0 Favored 'General case' 0 CA--C 1.472 -2.053 0 O-C-N 124.645 1.215 . . . . 0.0 108.762 176.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1591 ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' D' 1608 ' ' SER . 75.4 t -138.65 125.57 26.14 Favored 'Isoleucine or valine' 0 C--N 1.274 -2.714 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 178.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1592 ' ' TYR . . . . . 0.595 ' OH ' ' HA ' ' D' 1552 ' ' ILE . 20.9 m-30 -108.22 93.12 4.36 Favored 'General case' 0 N--CA 1.389 -3.485 0 N-CA-C 104.913 -2.254 . . . . 0.0 104.913 178.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1593 ' ' LYS . . . . . . . . . . . . . 49.7 pttt -96.54 179.16 5.1 Favored 'General case' 0 C--N 1.282 -2.349 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.459 -176.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1594 ' ' ASP . . . . . . . . . . . . . 67.9 m-20 59.7 43.84 15.02 Favored 'General case' 0 CA--C 1.499 -0.987 0 O-C-N 124.94 1.4 . . . . 0.0 111.004 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1595 ' ' GLY . . . . . . . . . . . . . . . -64.58 -150.64 0.06 OUTLIER Glycine 0 C--N 1.291 -1.942 0 CA-C-N 115.304 -0.862 . . . . 0.0 112.041 172.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1596 ' ' SER . . . . . . . . . . . . . 70.1 m -68.59 141.6 93.19 Favored Pre-proline 0 C--N 1.281 -2.405 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1597 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.96 119.12 5.97 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.369 2.046 . . . . 0.0 108.826 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1598 ' ' CYS . . . . . . . . . . . . . 8.5 t -91.31 132.59 33.45 Favored Pre-proline 0 N--CA 1.416 -2.169 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.41 -170.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1599 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -56.0 -29.01 71.92 Favored 'Trans proline' 0 CA--C 1.513 -0.548 0 C-N-CA 124.011 3.141 . . . . 0.0 113.813 178.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1600 ' ' SER . . . . . . . . . . . . . 4.2 m -52.75 -26.18 13.39 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 124.552 1.157 . . . . 0.0 114.057 -174.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1601 ' ' LYS . . . . . 0.55 ' HG2' ' H ' ' D' 1602 ' ' SER . 31.3 ttpt -160.19 -152.54 0.29 Allowed 'General case' 0 C--N 1.307 -1.249 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1602 ' ' SER . . . . . 0.55 ' H ' ' HG2' ' D' 1601 ' ' LYS . 43.8 m -142.39 109.9 5.71 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1603 ' ' GLY . . . . . . . . . . . . . . . 104.05 22.0 9.12 Favored Glycine 0 CA--C 1.474 -2.483 0 N-CA-C 107.715 -2.154 . . . . 0.0 107.715 -177.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1604 ' ' LEU . . . . . 0.691 HD21 ' SG ' ' D' 1634 ' ' CYS . 25.5 tp -121.47 156.43 32.79 Favored 'General case' 1 N--CA 1.379 -4.019 0 CA-C-N 111.987 -2.107 . . . . 0.0 108.295 -175.62 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1605 ' ' SER . . . . . . . . . . . . . 18.8 m -158.32 167.1 30.66 Favored 'General case' 0 C--N 1.251 -3.685 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 -174.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1606 ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' D' 1574 ' ' VAL . 97.4 m-85 -81.03 148.21 29.81 Favored 'General case' 0 C--N 1.288 -2.084 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1607 ' ' LYS . . . . . 0.516 ' HD3' ' OG1' ' D' 1635 ' ' THR . 0.0 OUTLIER -138.32 158.02 45.1 Favored 'General case' 0 C--N 1.282 -2.344 0 C-N-CA 118.672 -1.211 . . . . 0.0 109.748 172.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D 1608 ' ' SER . . . . . 0.541 ' HB2' ' H ' ' D' 1592 ' ' TYR . 52.3 m -99.81 152.35 20.23 Favored 'General case' 0 C--N 1.262 -3.211 0 CA-C-N 114.532 -1.213 . . . . 0.0 110.063 172.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1609 ' ' VAL . . . . . 0.559 HG13 HE21 ' D' 1589 ' ' GLN . 2.3 t -131.82 112.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.266 -3.052 0 N-CA-C 106.404 -1.702 . . . . 0.0 106.404 167.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1610 ' ' ILE . . . . . 0.677 ' O ' ' HA ' ' D' 1589 ' ' GLN . 34.7 mt -106.13 91.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.269 -2.934 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 -178.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1611 ' ' SER . . . . . 0.453 ' O ' ' HA ' ' D' 1639 ' ' SER . 48.2 p -90.61 103.47 16.16 Favored 'General case' 0 C--N 1.275 -2.645 0 C-N-CA 118.896 -1.122 . . . . 0.0 108.831 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1612 ' ' PHE . . . . . 0.573 ' CZ ' HD13 ' D' 1529 ' ' LEU . 86.7 m-85 -78.42 119.66 22.05 Favored 'General case' 0 CA--C 1.464 -2.349 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1613 ' ' VAL . . . . . . . . . . . . . 72.4 t -109.32 119.37 58.61 Favored 'Isoleucine or valine' 1 C--N 1.235 -4.375 0 CA-C-N 114.476 -1.238 . . . . 0.0 108.711 -174.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1614 ' ' CYS . . . . . 0.571 ' HB3' ' O ' ' D' 1645 ' ' ALA . 3.8 p -67.69 98.83 0.73 Allowed 'General case' 0 C--N 1.277 -2.56 0 CA-C-N 113.398 -1.728 . . . . 0.0 110.91 -178.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1615 ' ' ARG . . . . . 0.553 ' HA ' ' NE ' ' D' 1615 ' ' ARG . 3.7 mmp_? -131.93 129.5 21.89 Favored Pre-proline 0 C--N 1.273 -2.759 0 N-CA-C 108.242 -1.021 . . . . 0.0 108.242 179.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1616 ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' D' 1617 ' ' GLU . 28.2 Cg_exo -62.25 -15.87 47.36 Favored 'Trans proline' 0 N--CA 1.446 -1.311 0 C-N-CA 121.336 1.357 . . . . 0.0 110.714 173.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1617 ' ' GLU . . . . . 0.401 ' OE2' ' HD2' ' D' 1616 ' ' PRO . 1.2 mp0 -84.65 137.19 33.41 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 174.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1618 ' ' ALA . . . . . . . . . . . . . . . -96.21 151.15 19.76 Favored 'General case' 0 C--N 1.27 -2.858 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1619 ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' D' 1620 ' ' PRO . . . -66.77 159.32 48.99 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.07 -178.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1620 ' ' PRO . . . . . 0.421 ' HD3' ' HA2' ' D' 1619 ' ' GLY . 45.5 Cg_exo -60.93 -37.79 74.4 Favored 'Trans proline' 0 CA--C 1.493 -1.558 0 C-N-CA 124.28 3.32 . . . . 0.0 109.477 -178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1621 ' ' THR . . . . . . . . . . . . . 32.6 m -113.15 -32.26 6.37 Favored 'General case' 0 C--N 1.278 -2.543 0 CA-C-N 112.822 -1.99 . . . . 0.0 111.19 -179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1622 ' ' ASN . . . . . . . . . . . . . 68.3 m-20 77.96 60.08 0.03 OUTLIER 'General case' 0 CA--C 1.489 -1.395 0 CA-C-O 122.936 1.35 . . . . 0.0 109.533 -175.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1623 ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' D' 1539 ' ' THR . 82.9 mmt-85 -126.0 161.26 52.58 Favored Pre-proline 0 C--N 1.28 -2.434 0 CA-C-N 112.812 -1.995 . . . . 0.0 109.499 177.431 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1624 ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -69.31 113.08 3.18 Favored 'Trans proline' 0 N--CA 1.426 -2.493 0 N-CA-C 106.604 -2.114 . . . . 0.0 106.604 168.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1625 ' ' MET . . . . . . . . . . . . . 17.2 tpt -80.38 109.55 14.98 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.679 -175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1626 ' ' LEU . . . . . . . . . . . . . 62.1 tp -68.03 107.02 2.55 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.463 0.649 . . . . 0.0 110.092 177.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1627 ' ' ILE . . . . . 0.419 HD11 ' OG ' ' D' 1639 ' ' SER . 26.0 mm -74.22 -57.68 6.19 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.843 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.707 178.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1628 ' ' SER . . . . . . . . . . . . . 62.5 m -156.36 156.29 33.67 Favored 'General case' 0 C--N 1.263 -3.152 0 CA-C-N 114.266 -1.334 . . . . 0.0 112.933 -172.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1629 ' ' LEU . . . . . . . . . . . . . 41.2 tp -101.03 130.55 47.06 Favored 'General case' 0 N--CA 1.429 -1.515 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 173.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1630 ' ' ASP . . . . . 0.405 ' HB3' ' H ' ' D' 1635 ' ' THR . 12.2 t70 -94.09 104.15 16.19 Favored 'General case' 0 N--CA 1.41 -2.428 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1631 ' ' LYS . . . . . . . . . . . . . 22.4 tptm -80.32 -5.22 55.98 Favored 'General case' 0 C--N 1.28 -2.444 0 CA-C-O 121.425 0.631 . . . . 0.0 109.928 -175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1632 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -91.59 -25.79 19.03 Favored 'General case' 0 N--CA 1.429 -1.493 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.603 -177.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1633 ' ' THR . . . . . . . . . . . . . 17.1 p -138.55 13.67 2.75 Favored 'General case' 0 C--N 1.301 -1.53 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -176.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1634 ' ' CYS . . . . . 0.691 ' SG ' HD21 ' D' 1604 ' ' LEU . 29.4 m 52.65 48.57 22.23 Favored 'General case' 0 N--CA 1.42 -1.935 0 CA-C-N 113.722 -1.581 . . . . 0.0 113.312 173.318 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1635 ' ' THR . . . . . 0.516 ' OG1' ' HD3' ' D' 1607 ' ' LYS . 7.5 m -109.3 127.85 54.62 Favored 'General case' 0 C--N 1.262 -3.212 0 CA-C-N 113.97 -1.468 . . . . 0.0 110.368 -175.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1636 ' ' LEU . . . . . . . . . . . . . 6.9 mp -97.77 108.42 21.13 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.877 -1.527 . . . . 0.0 106.877 174.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1637 ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -87.49 107.35 18.53 Favored 'General case' 0 N--CA 1.42 -1.942 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.465 -176.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1638 ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' D' 1610 ' ' ILE . 92.9 m-85 -107.23 140.83 39.49 Favored 'General case' 0 C--N 1.288 -2.097 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -178.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1639 ' ' SER . . . . . 0.453 ' HA ' ' O ' ' D' 1611 ' ' SER . 86.2 p -125.82 116.98 22.43 Favored 'General case' 0 C--N 1.268 -2.959 0 C-N-CA 118.932 -1.107 . . . . 0.0 109.364 171.331 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1640 ' ' TRP . . . . . 0.483 ' CD1' ' HB ' ' D' 1642 ' ' THR . 3.6 t90 -98.8 103.8 15.79 Favored 'General case' 0 C--N 1.275 -2.658 0 N-CA-C 106.962 -1.496 . . . . 0.0 106.962 179.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1641 ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -81.38 105.11 12.3 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1642 ' ' THR . . . . . 0.483 ' HB ' ' CD1' ' D' 1640 ' ' TRP . 7.4 t -143.41 143.28 23.51 Favored Pre-proline 0 N--CA 1.393 -3.284 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.378 -173.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1643 ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' D' 1642 ' ' THR . 21.6 Cg_exo -71.9 -7.28 20.79 Favored 'Trans proline' 0 C--N 1.319 -1.019 0 C-N-CA 123.763 2.976 . . . . 0.0 110.948 172.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1644 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.64 -39.57 88.33 Favored 'General case' 0 CA--C 1.507 -0.694 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 178.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1645 ' ' ALA . . . . . 0.571 ' O ' ' HB3' ' D' 1614 ' ' CYS . . . -86.76 10.74 14.92 Favored 'General case' 0 CA--C 1.503 -0.852 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.774 -174.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1646 ' ' CYS . . . . . . . . . . . . . 47.9 t -121.39 160.44 24.07 Favored 'General case' 1 N--CA 1.378 -4.026 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 -175.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1647 ' ' GLU . . . . . 0.473 ' HB3' HD21 ' D' 1520 ' ' ASN . 0.4 OUTLIER 177.18 -43.8 0.01 OUTLIER 'General case' 1 C--N 1.239 -4.218 0 N-CA-C 103.341 -2.837 . . . . 0.0 103.341 -175.648 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' D' D 1648 ' ' GLN . . . . . 0.536 ' OE1' ' HG2' ' D' 1586 ' ' GLN . 48.2 tt0 -58.46 -56.57 20.39 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 113.366 -1.743 . . . . 0.0 112.011 -175.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1649 ' ' ALA . . . . . . . . . . . . . . . -68.71 -27.8 66.26 Favored 'General case' 0 C--N 1.298 -1.643 0 CA-C-O 121.906 0.86 . . . . 0.0 110.142 177.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1650 ' ' THR . . . . . . . . . . . . . 91.7 m -74.76 -7.97 54.97 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-N 114.112 -1.404 . . . . 0.0 110.222 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1651 ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' D' 1647 ' ' GLU . 21.8 mtpp -77.62 -7.75 56.84 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.898 -1.046 . . . . 0.0 109.672 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D 1652 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -103.35 100.15 10.02 Favored 'General case' 0 N--CA 1.41 -2.429 0 N-CA-C 106.45 -1.685 . . . . 0.0 106.45 174.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D 1653 ' ' HIS . . . . . . . . . . . . . . . . . . . . 1 C--N 1.238 -4.273 0 CA-C-N 118.603 0.638 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_