data_2kbb_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 2kbb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo . . . . . 0 N--CA 1.458 -0.563 0 N-CA-C 110.376 -0.663 . . . . 1.0 110.376 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.44 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.798 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.443 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.69 HD11 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.69 ' SG ' HD11 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.469 ' HA ' HD22 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.515 ' HB3' HD21 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1684 ' ' SER . . . . . 0.631 ' HB3' HE21 ' A' 1686 ' ' GLN . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1686 ' ' GLN . . . . . 0.631 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' 1687 ' ' LEU . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.972 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.54 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1701 ' ' GLN . . . . . 0.443 ' OE1' ' HB3' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.564 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.685 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.603 HG11 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.711 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.754 HD13 ' HB3' ' A' 1803 ' ' MET . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1714 ' ' GLU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.818 HD23 HD13 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.543 ' HB2' HD22 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.707 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.474 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.832 ' HB2' HD13 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.677 HG21 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.542 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.443 ' HB3' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.972 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.702 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.502 ' HG3' ' HB3' ' A' 1820 ' ' ALA . 12.8 mm-40 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.027 0.441 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.425 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.702 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' 1760 ' ' ALA . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.514 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.525 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.679 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.818 HD13 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.798 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.583 ' HB2' HG22 ' A' 1792 ' ' THR . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' 1789 ' ' ALA . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.814 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.814 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.651 HG21 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.754 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' 1768 ' ' LEU . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' 1803 ' ' MET . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.685 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 N-CA-C 111.419 -0.262 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.509 ' HA ' HG12 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.764 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1667 ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.566 HD21 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1670 ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.436 ' SG ' HD13 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.582 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.655 ' HG ' HG22 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.4 ' HA ' HD22 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1682 ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1684 ' ' SER . . . . . 0.439 ' HB2' HE21 ' A' 1686 ' ' GLN . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1686 ' ' GLN . . . . . 0.439 HE21 ' HB2' ' A' 1684 ' ' SER . 46.0 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.532 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.532 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.546 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 2.8 t-160 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.586 ' O ' HG22 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.684 HD22 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.85 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 26.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.456 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.767 HD12 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.74 HD23 HD11 ' A' 1775 ' ' LEU . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.43 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.451 ' O ' ' HE2' ' A' 1730 ' ' LYS . 25.4 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1729 ' ' HIS . . . . . 0.43 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.642 HG11 HD23 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.693 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.757 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.6 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.672 ' O ' HG23 ' A' 1746 ' ' VAL . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.797 HG12 HD12 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.652 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.529 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.432 ' HB2' ' HB1' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.954 ' HB2' HD13 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.529 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 1679 ' ' SER . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.582 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.484 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.649 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.566 ' HA ' HD21 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.74 HD11 HD23 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.642 HD23 HG11 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.515 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.764 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.508 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.616 HD22 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' 1789 ' ' ALA . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.616 ' HB2' HD22 ' A' 1785 ' ' ASN . 14.6 mm100 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.767 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.767 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.657 HG22 HG23 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.767 ' HB3' HD12 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.85 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.53 HD21 HG23 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.684 HG23 HD22 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.482 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.41 HD23 HD23 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.9 OUTLIER -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.947 ' HA ' ' HB1' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 CA--C 1.519 -0.254 0 N-CA-C 111.449 -0.25 . . . . 1.0 111.449 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.756 ' HA ' HG12 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.613 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.456 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.451 HD11 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.685 ' HG ' HG21 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' 1746 ' ' VAL . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.539 ' HA ' HD23 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1686 ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.744 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.744 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.466 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.456 HD22 HD12 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.484 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.593 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.493 HD23 HG21 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.628 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.738 HG11 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.837 HG23 HG22 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.445 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.445 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.735 HD21 HD11 ' A' 1775 ' ' LEU . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1717 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.512 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.444 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.833 ' HB2' HD12 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.607 ' CE1' HD12 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.413 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.704 ' O ' HG23 ' A' 1746 ' ' VAL . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.613 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.593 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.57 ' HB1' HD13 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.553 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.57 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.735 HD11 HD21 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.651 HD21 HG11 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.403 ' HA ' ' HB1' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.898 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1790 ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.898 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1794 ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.837 HG22 HG23 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.752 ' HB3' HD11 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.738 HG13 HG11 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.418 HD22 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.493 HG21 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.501 ' HB1' ' HB1' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1818 ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.501 ' HB1' ' HB1' ' A' 1817 ' ' ALA . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.956 0.315 . . . . 1.0 112.638 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1658 ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.739 ' HA ' HG12 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1664 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.502 HG22 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.56 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.649 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.582 ' O ' HG21 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.835 HG13 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' 1703 ' ' LEU . 47.4 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.668 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.412 ' HB2' HG23 ' A' 1807 ' ' VAL . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.789 HG22 HG21 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.804 HD23 HD12 ' A' 1775 ' ' LEU . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.63 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.437 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.501 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.501 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1732 ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.7 ' HB2' HD13 ' A' 1712 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1735 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' A' 1732 ' ' SER . 21.4 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.421 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.437 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.618 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.6 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1760 ' ' ALA . 24.9 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.56 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.585 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.502 HD11 HG22 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.804 HD12 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.614 HD23 HG11 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.473 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.2 t30 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.789 HG21 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.757 ' HB3' HD12 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.835 HG13 HG13 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1809 ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.438 HG21 HD21 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' 1724 ' ' ALA . 13.0 Cg_exo . . . . . 0 C--O 1.229 0.063 0 N-CA-C 111.298 -0.308 . . . . 1.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.506 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1667 ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1670 ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.67 ' HG ' HG21 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.48 ' HA ' HD22 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.437 ' HB1' HD12 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1684 ' ' SER . . . . . 0.439 ' HB3' HE21 ' A' 1686 ' ' GLN . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1686 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 1684 ' ' SER . 47.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.415 ' HB2' HD12 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1701 ' ' GLN . . . . . 0.584 HE21 ' HB2' ' A' 1744 ' ' ALA . 21.7 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.816 HG11 HG12 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.706 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.421 ' HB2' HG13 ' A' 1807 ' ' VAL . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.864 HG21 HG22 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.538 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.538 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.795 HD23 HD11 ' A' 1775 ' ' LEU . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.483 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.593 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.483 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.46 HG12 HD21 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.87 ' HB2' HD12 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.434 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.52 HD11 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.67 HG21 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB3' ' HE2' ' A' 1702 ' ' MET . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.41 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' 1813 ' ' THR . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.413 HD13 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.531 ' HA ' HD11 ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.545 ' HB3' ' HE2' ' A' 1803 ' ' MET . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.795 HD11 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.46 HD21 HG12 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.477 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.55 ' HB2' HG23 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.593 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 1.001 HD22 ' HB2' ' A' 1788 ' ' GLN . 20.7 t30 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 1.001 ' HB2' HD22 ' A' 1785 ' ' ASN . 16.8 mm100 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 1789 ' ' ALA . 78.1 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.864 HG22 HG21 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.742 ' HB3' HD12 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' 1768 ' ' LEU . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.816 HG12 HG11 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.628 HD21 HG23 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.422 HG23 ' HB2' ' A' 1760 ' ' ALA . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1810 ' ' LEU . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.758 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.547 ' CB ' HG21 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.423 ' O ' ' HB3' ' A' 1724 ' ' ALA . 31.4 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 N-CA-C 111.091 -0.388 . . . . 1.0 111.091 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.732 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.678 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.678 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.782 HD13 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.782 ' SG ' HD13 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1677 ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.542 HD12 ' HB2' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.543 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.542 ' HB2' HD12 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.594 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.55 HD23 HG22 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.846 HG11 HG11 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.661 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.489 ' HB2' HG12 ' A' 1807 ' ' VAL . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.817 HG21 HG21 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' 1714 ' ' GLU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.755 HD23 HD13 ' A' 1775 ' ' LEU . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.583 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.545 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.885 HG13 HD23 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.474 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.553 HD12 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.688 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.601 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.568 ' HA ' ' NH2' ' A' 1690 ' ' ARG . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.569 ' OE1' HG21 ' A' 1813 ' ' THR . 10.3 mm-40 . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 111.941 0.348 . . . . 1.0 111.941 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.441 HG23 HD21 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' 1806 ' ' ALA . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.588 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.755 HD13 HD23 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.885 HD23 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.605 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.542 ' HB2' HG23 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.545 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.715 HD22 ' HB2' ' A' 1788 ' ' GLN . 49.1 t30 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.715 ' HB2' HD22 ' A' 1785 ' ' ASN . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.817 HG21 HG21 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.761 ' HB3' HD12 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.846 HG11 HG11 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.508 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.55 HG22 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.569 HG21 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 110.793 -0.503 . . . . 1.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.767 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.614 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.818 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.818 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.726 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' 1749 ' ' ALA . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.574 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.411 ' H ' HG13 ' A' 1693 ' ' ILE . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.414 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.617 HD21 HD22 ' A' 1815 ' ' ASN . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.582 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.594 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.698 ' HB2' HG13 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.74 HD11 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1775 ' ' LEU . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1718 ' ' SER . . . . . 0.492 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.488 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.645 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1729 ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.645 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.767 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1732 ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' 1712 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' 1732 ' ' SER . 19.9 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1737 ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.436 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.692 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.656 HG22 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.722 ' HB3' HD21 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.525 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.517 ' CG2' ' HB2' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.509 ' HG2' ' HB3' ' A' 1821 ' ' ALA . 4.9 tp-100 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.732 0.301 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1759 ' ' MET . . . . . 0.528 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.692 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.465 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.572 ' HB2' ' HE2' ' A' 1803 ' ' MET . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.699 HD21 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.614 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB2' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.467 ' HA ' HG13 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.651 ' HA ' HE21 ' A' 1801 ' ' GLN . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.467 HG13 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.651 HE21 ' HA ' ' A' 1798 ' ' GLU . 24.9 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.74 ' HB3' HD11 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.4 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.449 HG21 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.483 HD21 ' CE ' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.617 HD22 HD21 ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' 1752 ' ' THR . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' 1724 ' ' ALA . 31.9 Cg_exo . . . . . 0 N--CA 1.465 -0.167 0 N-CA-C 110.844 -0.483 . . . . 1.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.571 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.68 ' HG ' HG21 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1677 ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' 1677 ' ' GLN . 0.0 OUTLIER -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.586 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.477 HG13 ' HB3' ' A' 1697 ' ' ALA . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.65 HD23 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' 1696 ' ' GLU . 3.4 t-80 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.538 ' O ' HG22 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.404 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.734 ' HB2' HG12 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.754 HG22 HG21 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.464 ' HG2' ' O ' ' A' 1712 ' ' LEU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.577 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.731 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.418 ' HD3' ' HB1' ' A' 1722 ' ' ALA . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1722 ' ' ALA . . . . . 0.418 ' HB1' ' HD3' ' A' 1721 ' ' ARG . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.589 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.635 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.68 HG21 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.586 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.643 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.567 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.453 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' A' 1820 ' ' ALA . 30.0 mm-40 . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.643 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.478 HE21 ' HA ' ' A' 1810 ' ' LEU . 25.1 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.405 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.683 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.407 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1774 ' ' GLN . . . . . 0.501 HE21 ' HA ' ' A' 1799 ' ' ALA . 30.0 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.555 HD13 HD21 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.524 HD21 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.407 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.498 ' HB1' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.589 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.3 t30 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.498 HG22 ' HB1' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1794 ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.55 ' HA ' HG11 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1799 ' ' ALA . . . . . 0.501 ' HA ' HE21 ' A' 1774 ' ' GLN . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.754 HG21 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.683 ' HE3' ' HB1' ' A' 1772 ' ' ALA . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.478 ' HA ' HE21 ' A' 1764 ' ' GLN . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 0.9 OUTLIER -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo . . . . . 0 CA--C 1.526 0.08 0 N-CA-C 111.384 -0.275 . . . . 1.0 111.384 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.653 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1664 ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.505 HG21 HD13 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.434 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' 1766 ' ' LYS . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.45 ' HB1' HG23 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.695 ' HB1' HD21 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.695 HD21 ' HB1' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.491 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.495 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.617 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.53 HD13 HD22 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.53 HD22 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' 1814 ' ' LEU . 44.8 t-80 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.598 ' O ' HG21 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.524 HD21 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.52 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.56 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.789 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.52 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.502 ' HA ' ' CD1' ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.862 HG23 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.403 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.436 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.661 HD22 HD11 ' A' 1775 ' ' LEU . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.655 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.455 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.655 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1729 ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' 1733 ' ' GLN . 62.4 t60 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.657 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.763 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1735 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.67 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.617 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.477 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.633 HG21 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.639 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.569 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.482 ' OG1' ' HE2' ' A' 1702 ' ' MET . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.505 HD13 HG21 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1774 ' ' GLN . . . . . 0.823 ' HA ' HE21 ' A' 1774 ' ' GLN . 0.0 OUTLIER -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.661 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.657 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.574 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.574 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.569 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.814 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.814 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG23 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.497 ' HA ' HG21 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.789 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1809 ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.477 HD23 HG22 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.524 HG23 HD21 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' 1699 ' ' HIS . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.961 0.317 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1658 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1658 ' ' GLN . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG12 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 1772 ' ' ALA . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.409 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.678 ' HB2' HD21 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.586 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.699 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.562 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.722 HG21 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 25.9 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1708 ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.712 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.562 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.804 HG21 HG21 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.429 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' 1714 ' ' GLU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.704 HD23 HD13 ' A' 1775 ' ' LEU . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1717 ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.744 HG11 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 47.1 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.735 ' HE2' HG12 ' A' 1713 ' ' ILE . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1737 ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.627 ' CE1' HD11 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.45 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.45 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.63 HD23 HG21 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.681 HG22 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.706 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.586 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.501 ' HB ' ' CB ' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.706 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.501 HD21 HD22 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.63 HG21 HD23 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.589 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.704 HD13 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.744 HD22 HG11 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1779 ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.873 HD22 ' HB2' ' A' 1788 ' ' GLN . 37.2 t30 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.873 ' HB2' HD22 ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' 1720 ' ' ALA . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.804 HG21 HG21 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG21 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.721 ' HB3' HD11 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.409 HG21 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.722 HG13 HG21 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.501 HD22 HD21 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.699 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' 1724 ' ' ALA . 2.8 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.683 0.201 . . . . 1.0 112.171 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1658 ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' 1780 ' ' LYS . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.664 ' HA ' HG12 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.464 HG23 HD12 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.617 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.765 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.51 ' O ' HD12 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.715 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.801 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.513 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.801 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.578 HD22 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.603 ' HB3' HD22 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.816 HG11 HG12 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' 1703 ' ' LEU . 36.8 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.713 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.717 ' HB2' HG13 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.746 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.852 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.436 ' HG2' ' O ' ' A' 1712 ' ' LEU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.789 HD22 HD12 ' A' 1775 ' ' LEU . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.507 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.424 HD11 ' HB2' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1729 ' ' HIS . . . . . 0.415 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.477 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.689 HG11 HD21 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.683 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.746 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.0 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1737 ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.519 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.674 HG21 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.513 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.497 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.607 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.3 tt0 -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1760 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.47 HD22 ' HB1' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.765 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.488 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.611 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.789 HD12 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.689 HD21 HG11 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1778 ' ' THR . . . . . 0.54 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1779 ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.412 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1791 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1794 ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.523 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.54 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.852 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' 1797 ' ' GLU . 33.0 mm-40 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.816 HG12 HG11 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1808 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.578 HG23 HD22 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' 1760 ' ' ALA . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.536 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' 1817 ' ' ALA . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo . . . . . 0 N--CA 1.461 -0.417 0 N-CA-C 111.233 -0.333 . . . . 1.0 111.233 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.783 ' HA ' HG12 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1664 ' ' ALA . . . . . 0.495 ' HB2' ' HB1' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' 1661 ' ' CYS . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.531 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.507 HD12 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.678 ' HG ' HG22 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.546 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.469 HG13 ' HB1' ' A' 1697 ' ' ALA . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.504 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.663 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.662 ' HA ' HE21 ' A' 1707 ' ' GLN . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.674 ' HB2' HD22 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.726 HG12 HG11 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' 1704 ' ' THR . 47.6 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.722 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.72 ' HB2' HG12 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.832 HG23 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.81 HD22 HD12 ' A' 1775 ' ' LEU . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1722 ' ' ALA . . . . . 0.406 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' 1656 ' ' PRO . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' A' 1736 ' ' GLN . 25.9 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.75 ' HB2' HD12 ' A' 1712 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1735 ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' 1733 ' ' GLN . 7.8 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.521 ' CE1' HD12 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.73 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.509 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.607 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.467 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.471 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.612 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.276 0.56 . . . . 1.0 109.952 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.452 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1759 ' ' MET . . . . . 0.452 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.41 HG21 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.507 ' HG3' HD12 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.549 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.81 HD12 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.765 HD22 HG11 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.444 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.525 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.632 ' HB3' HG23 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1783 ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.585 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.799 HD22 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.799 ' HB2' HD22 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' 1782 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.649 HD21 ' HB1' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.832 HG23 HG23 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.787 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.726 HG11 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.612 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.663 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.8 OUTLIER -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1822 ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' 1724 ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.466 -0.115 0 CA-C-O 120.829 0.262 . . . . 1.0 111.799 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1659 ' ' LEU . . . . . 0.466 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.713 ' HA ' HG12 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1664 ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.573 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.436 HD12 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1676 ' ' ASP . . . . . 0.526 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.459 ' HA ' HD23 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.788 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.788 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.521 HG12 ' HB1' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.54 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.521 ' HB1' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1701 ' ' GLN . . . . . 0.544 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.554 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.457 HD21 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.658 HG12 HG11 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1708 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.821 HG21 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.644 HD21 HD11 ' A' 1775 ' ' LEU . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1718 ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.594 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' 1730 ' ' LYS . 18.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.424 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.696 ' HB2' HD13 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1735 ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.486 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.486 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.617 HD12 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.544 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.592 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.662 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1757 ' ' GLN . . . . . 0.895 HE21 ' HA ' ' A' 1757 ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.662 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.436 ' CG ' HD12 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.589 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.511 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.644 HD11 HD21 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.708 HD23 HG11 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.511 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.571 ' HZ2' ' HB3' ' A' 1780 ' ' LYS . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.622 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1783 ' ' GLY . . . . . 0.424 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.504 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.504 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.6 tp60 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.623 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.6 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.577 ' HA ' HG13 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.821 HG23 HG21 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.794 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.482 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.658 HG11 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.457 HG23 HD21 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1813 ' ' THR . . . . . 0.56 HG21 ' NE2' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1822 ' ' GLY . . . . . 0.54 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 N-CA-C 113.434 0.513 . . . . 1.0 113.434 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1657 ' ' GLY . . . . . 0.524 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1658 ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' 1780 ' ' LYS . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.509 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.527 HG21 HD12 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.734 HD11 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.608 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.734 ' SG ' HD11 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.668 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' 1746 ' ' VAL . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1684 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1686 ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.59 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.559 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.59 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.521 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.416 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.46 HD13 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.521 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.621 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.64 HD22 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD23 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.824 HG12 HG11 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.726 ' HB2' HG12 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1709 ' ' ILE . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.409 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.587 HD21 HD12 ' A' 1775 ' ' LEU . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1717 ' ' ALA . . . . . 0.475 ' HB3' HG23 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1718 ' ' SER . . . . . 0.432 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1722 ' ' ALA . . . . . 0.419 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.431 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.526 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.846 HE21 ' HA ' ' A' 1726 ' ' GLN . 0.0 OUTLIER -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.524 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.609 HG13 HD21 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.613 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.639 ' HB2' HD13 ' A' 1712 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.533 ' CZ ' ' HG ' ' A' 1768 ' ' LEU . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.517 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.668 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.559 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1745 ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.46 ' HD3' HD13 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' 1748 ' ' ALA . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.858 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.533 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.637 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.527 HD12 HG21 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.587 HD12 HD21 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.609 HD21 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.526 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.821 HD22 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.47 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.821 ' HB2' HD22 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.795 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.795 ' HB ' ' HB3' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.637 ' HE3' ' HB2' ' A' 1772 ' ' ALA . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.824 HG11 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.505 HD22 HG22 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.64 HG23 HD22 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.407 HD21 HD21 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.804 ' HA ' ' HB1' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1818 ' ' ALA . . . . . 0.447 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.473 0.321 0 CA-C-O 120.877 0.282 . . . . 1.0 112.699 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1658 ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' 1780 ' ' LYS . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.708 ' HA ' HG12 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.405 HG22 HD12 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.758 HD13 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.758 ' SG ' HD13 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.658 ' HG ' HG22 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.504 ' HB3' HG11 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.416 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' 1690 ' ' ARG . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.623 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.58 HD22 HG21 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.78 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.751 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.503 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.789 HD23 HD12 ' A' 1775 ' ' LEU . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.736 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.434 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.736 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.494 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.726 ' HE2' HG12 ' A' 1713 ' ' ILE . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1737 ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.436 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.715 ' O ' HG22 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.428 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.67 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.677 ' HB2' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.496 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.567 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.405 HD12 HG22 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.789 HD12 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.672 HD21 HG11 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.627 ' HB2' HG22 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.494 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.837 HD22 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB3' HD22 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.821 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.434 HD21 ' HB1' ' A' 1720 ' ' ALA . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.524 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.763 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.751 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.428 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.58 HG21 HD22 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.44 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.656 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1822 ' ' GLY . . . . . 0.623 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo . . . . . 0 CA--C 1.529 0.23 0 N-CA-C 111.486 -0.236 . . . . 1.0 111.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.762 ' HA ' HG13 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.51 HG23 HD12 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.579 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.636 ' HB1' HG11 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.416 HD22 ' CG1' ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.703 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.448 HG22 HD23 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.545 ' HA ' ' HZ1' ' A' 1751 ' ' LYS . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.441 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.441 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.502 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.641 HD22 HG21 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.716 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.705 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.415 ' HB2' HG11 ' A' 1807 ' ' VAL . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.868 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.833 HG22 HG22 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.689 HD22 HD11 ' A' 1775 ' ' LEU . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.657 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.657 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1729 ' ' HIS . . . . . 0.418 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.465 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 1729 ' ' HIS . 22.5 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.868 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.652 HG22 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.703 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.72 ' HA ' HD21 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1745 ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.636 HG11 ' HB1' ' A' 1678 ' ' ALA . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.698 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.703 ' HB2' HD12 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' 1762 ' ' LEU . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.464 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.625 0.25 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.502 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' 1749 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.536 ' NE2' ' HA ' ' A' 1810 ' ' LEU . 24.1 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.459 ' HG3' HD13 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.633 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.689 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.598 HD23 HG12 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1779 ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.62 ' HB2' HG23 ' A' 1792 ' ' THR . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.587 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 4.6 t30 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.589 ' HB3' ' NE2' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.587 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.876 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.876 ' HB ' ' HB3' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.589 ' NE2' ' HB3' ' A' 1786 ' ' PRO . 47.3 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.833 HG22 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1801 ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.72 ' HB3' HD11 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.422 HG21 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.716 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.641 HG21 HD22 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.508 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.226 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.735 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.551 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.495 HD13 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1676 ' ' ASP . . . . . 0.43 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1682 ' ' ALA . . . . . 0.482 ' HB3' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.518 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.518 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.561 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.667 HD21 HG21 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.529 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.727 HD12 ' HE3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.806 HD23 HD12 ' A' 1775 ' ' LEU . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1717 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.634 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.645 ' HB2' HD23 ' A' 1796 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1721 ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.559 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.797 HG13 HD21 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.626 ' HE1' HD12 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.455 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.502 HD21 HG23 ' A' 1765 ' ' THR . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.676 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' 1702 ' ' MET . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.636 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.598 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 1748 ' ' ALA . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.396 0.141 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.502 HG23 HD21 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.495 ' HG3' HD13 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1770 ' ' GLU . . . . . 0.492 ' HG3' HD12 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.588 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.442 HD13 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.806 HD12 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.797 HD21 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.887 ' HA ' ' HB3' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1783 ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.559 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' 1788 ' ' GLN . 11.8 t30 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.462 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.485 ' H ' ' ND2' ' A' 1785 ' ' ASN . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.887 ' HB3' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.727 ' HE3' HD12 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.515 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1809 ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.667 HG21 HD21 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.402 HD21 HD23 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.409 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' 1821 ' ' ALA . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 N--CA 1.462 -0.377 0 CA-C-O 120.934 0.306 . . . . 1.0 111.446 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.732 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.629 ' HG ' HG22 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.568 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.421 ' HA ' HD22 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1682 ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.875 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.655 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1697 ' ' ALA . . . . . 0.655 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.687 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 5.8 t60 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.579 ' O ' HG22 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.44 HD22 HG21 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.758 HG13 HG12 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1708 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.8 HG21 HG21 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.711 HD21 HD12 ' A' 1775 ' ' LEU . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.617 ' HA ' HD21 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.811 HG13 HD23 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.786 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.432 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.657 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1743 ' ' LEU . . . . . 0.441 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.875 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.658 ' HB2' HD13 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.723 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.498 0.19 . . . . 1.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.401 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 17.7 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.658 HD13 ' HB2' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1764 ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.3 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.526 HD12 ' HB1' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.531 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.711 HD12 HD21 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.811 HD23 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.637 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.786 ' HA ' ' HB3' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1790 ' ' ALA . . . . . 0.459 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.8 HG21 HG21 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.735 ' HB3' HD11 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.526 ' HB1' HD12 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.758 HG12 HG13 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.631 HD22 HG23 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.44 HG21 HD22 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.687 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.7 OUTLIER -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo . . . . . 0 N--CA 1.462 -0.372 0 N-CA-C 111.564 -0.206 . . . . 1.0 111.564 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1661 ' ' CYS . . . . . 0.534 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1665 ' ' ILE . . . . . 0.472 HG21 HD13 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1668 ' ' LEU . . . . . 0.771 HD13 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1672 ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.668 ' HG ' HG22 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.59 ' HA ' HD22 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1680 ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1682 ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1689 ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.641 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1691 ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.581 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG22 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.622 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.573 HD22 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.622 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.595 ' O ' HG21 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.651 HD22 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1704 ' ' THR . . . . . 0.405 ' HA ' HE21 ' A' 1707 ' ' GLN . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.547 ' HB2' HD22 ' A' 1741 ' ' LEU . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.745 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1703 ' ' LEU . 48.6 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.753 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.614 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.852 HG22 HG21 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1714 ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1715 ' ' PRO . . . . . 0.448 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.738 HD22 HD11 ' A' 1775 ' ' LEU . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1720 ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.482 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1727 ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.518 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1731 ' ' VAL . . . . . 0.479 HG11 HD23 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.685 ' HE2' HG12 ' A' 1713 ' ' ILE . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.697 ' O ' HG22 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.539 ' HB2' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1745 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.641 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.593 ' HB1' HD13 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1750 ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.469 HG21 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1753 ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' 1753 ' ' LEU . 5.1 tt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.4 ' OE1' ' HG3' ' A' 1759 ' ' MET . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1759 ' ' MET . . . . . 0.4 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.593 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.452 ' OG1' ' HE3' ' A' 1702 ' ' MET . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.618 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1773 ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.738 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1776 ' ' LEU . . . . . 0.479 HD23 HG11 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1777 ' ' TYR . . . . . 0.588 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.534 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.426 ' HG2' HG21 ' A' 1792 ' ' THR . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1782 ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1783 ' ' GLY . . . . . 0.491 ' CA ' HD23 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' 1788 ' ' GLN . 29.9 t30 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.613 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.645 ' HB3' HD22 ' A' 1785 ' ' ASN . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1790 ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1791 ' ' HIS . . . . . 0.483 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.53 HG23 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1794 ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.545 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1796 ' ' LEU . . . . . 0.618 HD22 ' HB1' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.431 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.852 HG21 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1802 ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.752 ' HB3' HD12 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1805 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.745 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1808 ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' 1814 ' ' LEU . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.651 HG23 HD22 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.486 HD21 HD21 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.43 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' 1821 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1656 ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 N-CA-C 111.406 -0.267 . . . . 1.0 111.406 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1660 ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1662 ' ' GLU . . . . . 0.602 ' HB2' ' HZ2' ' A' 1780 ' ' LYS . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1669 ' ' ASN . . . . . 0.572 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1671 ' ' CYS . . . . . 0.609 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1673 ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1675 ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1678 ' ' ALA . . . . . 0.421 ' CB ' HG12 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1679 ' ' SER . . . . . 0.492 ' O ' HG22 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1681 ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1682 ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1683 ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1687 ' ' LEU . . . . . 0.539 HD23 ' HB1' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1688 ' ' ALA . . . . . 0.475 ' O ' HD11 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1690 ' ' ARG . . . . . 0.868 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1692 ' ' GLY . . . . . 0.868 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1693 ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1695 ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1696 ' ' GLU . . . . . 0.712 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1698 ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1699 ' ' HIS . . . . . 0.712 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1702 ' ' MET . . . . . 0.531 ' O ' HG22 ' A' 1706 ' ' VAL . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1703 ' ' LEU . . . . . 0.732 HD21 HD22 ' A' 1815 ' ' ASN . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1706 ' ' VAL . . . . . 0.77 HG12 HG12 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1707 ' ' GLN . . . . . 0.449 ' NE2' ' HG ' ' A' 1703 ' ' LEU . 47.8 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1709 ' ' ILE . . . . . 0.74 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1710 ' ' SER . . . . . 0.454 ' HB2' HG13 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1712 ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1713 ' ' ILE . . . . . 0.808 HG22 HG21 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1716 ' ' LEU . . . . . 0.797 HD21 HD12 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1719 ' ' ALA . . . . . 0.643 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1723 ' ' GLU . . . . . 0.643 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1724 ' ' ALA . . . . . 0.471 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1726 ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1730 ' ' LYS . . . . . 0.553 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1733 ' ' GLN . . . . . 0.684 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1734 ' ' MET . . . . . 0.872 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1736 ' ' GLN . . . . . 0.684 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1737 ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1738 ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1739 ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1740 ' ' PRO . . . . . 0.455 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1742 ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1744 ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' 1702 ' ' MET . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1745 ' ' ALA . . . . . 0.402 ' HB2' ' HE2' ' A' 1702 ' ' MET . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1746 ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1747 ' ' GLY . . . . . 0.559 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1748 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1749 ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1751 ' ' LYS . . . . . 0.503 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1752 ' ' THR . . . . . 0.621 HG22 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1758 ' ' GLN . . . . . 0.489 HE21 ' HB ' ' A' 1752 ' ' THR . 1.8 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1761 ' ' LEU . . . . . 0.454 HD11 ' HE3' ' A' 1702 ' ' MET . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1762 ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1766 ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1768 ' ' LEU . . . . . 0.432 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1772 ' ' ALA . . . . . 0.586 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1775 ' ' LEU . . . . . 0.797 HD12 HD21 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1780 ' ' LYS . . . . . 0.602 ' HZ2' ' HB2' ' A' 1662 ' ' GLU . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1784 ' ' GLY . . . . . 0.471 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1785 ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1786 ' ' PRO . . . . . 0.511 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1788 ' ' GLN . . . . . 0.425 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.8 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.763 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1792 ' ' THR . . . . . 0.763 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1793 ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1795 ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1797 ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1798 ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1800 ' ' VAL . . . . . 0.808 HG21 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1803 ' ' MET . . . . . 0.803 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1804 ' ' THR . . . . . 0.471 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1807 ' ' VAL . . . . . 0.77 HG12 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1810 ' ' LEU . . . . . 0.499 HD21 HG23 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1811 ' ' THR . . . . . 0.635 HG22 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1812 ' ' THR . . . . . 0.542 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1814 ' ' LEU . . . . . 0.415 HD22 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1815 ' ' ASN . . . . . 0.732 HD22 HD21 ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1816 ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1817 ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1820 ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1821 ' ' ALA . . . . . 0.621 ' HB1' HG22 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.15 -0.38 . . . . 1.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.439 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.2 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.603 -0.351 . . . . 1.0 110.092 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.95 98.19 14.87 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.992 0.425 . . . . 1.0 110.187 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' 1650 ' ' ILE . 95.8 Cg_endo -90.44 -0.5 5.3 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.717 2.278 . . . . 1.0 111.785 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.609 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.5 m-85 -102.18 -90.68 0.35 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.141 -0.457 . . . . 1.0 111.062 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.604 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.3 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.316 0.858 . . . . 1.0 113.316 -175.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.17 159.85 31.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.814 -0.755 . . . . 1.0 112.234 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.9 144.89 60.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.512 2.142 . . . . 1.0 110.376 166.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.472 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.44 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.798 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.443 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.69 HD11 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.69 ' SG ' HD11 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.677 ' HG ' HG21 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.469 ' HA ' HD22 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.515 ' HB3' HD21 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1684 ' ' SER . . . . . 0.631 ' HB3' HE21 ' A' 1686 ' ' GLN . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1686 ' ' GLN . . . . . 0.631 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.605 HD13 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.413 ' N ' HD11 ' A' 1687 ' ' LEU . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.972 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.54 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.461 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.426 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1701 ' ' GLN . . . . . 0.443 ' OE1' ' HB3' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.564 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.685 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.603 HG11 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.711 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.754 HD13 ' HB3' ' A' 1803 ' ' MET . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.401 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1714 ' ' GLU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.818 HD23 HD13 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.543 ' HB2' HD22 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.707 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.503 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.704 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.439 ' O ' HG22 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.474 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.536 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.832 ' HB2' HD13 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.517 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.401 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.401 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.487 HD21 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.677 HG21 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.542 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.443 ' HB3' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.972 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.702 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.475 ' CB ' HD23 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.605 ' HB2' HD13 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp -114.89 26.03 10.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 11.2 m -81.63 -64.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.44 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.493 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 55.6 m80 -146.2 172.51 5.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.493 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 60.0 Cg_exo -54.2 -10.37 2.02 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.881 2.387 . . . . 1.0 112.923 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.502 ' HG3' ' HB3' ' A' 1820 ' ' ALA . 12.8 mm-40 -48.63 -36.53 16.05 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 1.0 110.994 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.425 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.702 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.475 HD23 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.532 ' HG3' ' O ' ' A' 1760 ' ' ALA . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.514 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.525 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.679 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.818 HD13 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.798 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.609 ' HA ' ' CZ ' ' A' 1653 ' ' PHE . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.503 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.436 ' C ' ' H ' ' A' 1789 ' ' ALA . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.814 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.814 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.651 HG21 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.754 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.404 ' HB1' HD13 ' A' 1768 ' ' LEU . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' 1803 ' ' MET . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.475 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.685 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.564 ' HA ' ' HB2' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.564 ' HB2' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.199 -0.36 . . . . 1.0 112.199 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 42.2 pt -114.35 159.48 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -84.81 114.48 55.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.466 ' HG2' ' HE3' ' A' 1780 ' ' LYS . 8.1 Cg_exo -71.29 -22.31 25.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.559 2.173 . . . . 1.0 111.137 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.557 ' O ' ' HG2' ' A' 1658 ' ' GLN . 93.6 m-85 -128.39 145.18 51.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.4 t -85.3 95.59 9.26 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.445 0.64 . . . . 1.0 112.201 -172.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.476 ' HB2' ' OE1' ' A' 1658 ' ' GLN . . . -175.28 159.57 2.17 Favored Pre-proline 0 C--O 1.237 0.415 0 CA-C-N 115.039 -0.982 . . . . 1.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.1 109.52 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.8 2.333 . . . . 1.0 111.419 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.557 ' HG2' ' O ' ' A' 1653 ' ' PHE . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.509 ' HA ' HG12 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.764 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.484 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1667 ' ' ALA . . . . . 0.418 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.566 HD21 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1670 ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.436 ' SG ' HD13 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.582 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.655 ' HG ' HG22 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.424 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.4 ' HA ' HD22 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1682 ' ' ALA . . . . . 0.432 ' HB1' ' HB2' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1684 ' ' SER . . . . . 0.439 ' HB2' HE21 ' A' 1686 ' ' GLN . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1686 ' ' GLN . . . . . 0.439 HE21 ' HB2' ' A' 1684 ' ' SER . 46.0 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.954 HD13 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.532 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.441 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.532 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.546 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.546 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 2.8 t-160 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.586 ' O ' HG22 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.684 HD22 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.85 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 26.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.456 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.757 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.767 HD12 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.74 HD23 HD11 ' A' 1775 ' ' LEU . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.43 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.43 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.508 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.451 ' O ' ' HE2' ' A' 1730 ' ' LYS . 25.4 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1729 ' ' HIS . . . . . 0.43 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.451 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.642 HG11 HD23 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.693 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.757 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.693 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.6 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.578 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.45 ' HA ' HD22 ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.672 ' O ' HG23 ' A' 1746 ' ' VAL . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.441 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.797 HG12 HD12 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.652 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.529 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.432 ' HB2' ' HB1' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.954 ' HB2' HD13 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.652 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.2 -24.94 60.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 4.1 m -68.51 89.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.835 175.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.428 ' N ' ' HD2' ' A' 1756 ' ' PRO . 79.2 m80 -54.13 -54.61 45.57 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.454 ' O ' ' HB1' ' A' 1760 ' ' ALA . 27.7 Cg_endo -62.43 -19.33 67.08 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.976 1.784 . . . . 1.0 113.187 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -96.06 -39.91 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.454 ' HB1' ' O ' ' A' 1756 ' ' PRO . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.529 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' 1679 ' ' SER . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.582 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.505 HD11 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.484 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.649 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.566 ' HA ' HD21 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.74 HD11 HD23 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.642 HD23 HG11 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.515 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.764 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.508 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.616 HD22 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' 1789 ' ' ALA . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.616 ' HB2' HD22 ' A' 1785 ' ' ASN . 14.6 mm100 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.767 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.767 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.657 HG22 HG23 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.767 ' HB3' HD12 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.505 ' HB3' HD11 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.85 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.53 HD21 HG23 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.684 HG23 HD22 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.482 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.41 HD23 HD23 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.553 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.9 OUTLIER -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.947 ' HA ' ' HB1' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.947 ' HB1' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 112.297 -0.321 . . . . 1.0 112.297 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.814 ' H ' HD12 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.31 -156.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.154 -0.313 . . . . 1.0 110.154 178.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -81.98 108.82 12.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.277 0.56 . . . . 1.0 110.004 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.691 ' HB2' ' HG3' ' A' 1788 ' ' GLN . 64.4 Cg_endo -95.17 9.53 1.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.187 2.591 . . . . 1.0 112.258 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.692 ' HB2' ' HG3' ' A' 1658 ' ' GLN . 41.6 p90 -108.99 146.74 33.39 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.662 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.401 ' HG1' ' C ' ' A' 1653 ' ' PHE . 19.6 m -158.09 91.87 1.14 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.351 -0.841 . . . . 1.0 109.289 174.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -168.64 151.93 5.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.86 107.21 0.51 Allowed 'Trans proline' 0 CA--C 1.519 -0.254 0 C-N-CA 123.091 2.527 . . . . 1.0 111.449 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.692 ' HG3' ' HB2' ' A' 1653 ' ' PHE . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.756 ' HA ' HG12 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.613 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.456 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.451 HD11 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.613 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.685 ' HG ' HG21 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.444 ' HB2' HG12 ' A' 1746 ' ' VAL . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.539 ' HA ' HD23 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.471 ' HB3' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1686 ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.744 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.613 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.744 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.428 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.466 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.456 HD22 HD12 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.484 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.593 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.493 HD23 HG21 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.628 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.738 HG11 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.686 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.833 HD12 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.837 HG23 HG22 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.445 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.445 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.735 HD21 HD11 ' A' 1775 ' ' LEU . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1717 ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.512 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.509 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.444 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.756 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.833 ' HB2' HD12 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.607 ' CE1' HD12 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.413 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.413 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.704 ' O ' HG23 ' A' 1746 ' ' VAL . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.613 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.593 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.704 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.57 ' HB1' HD13 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.553 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.45 -21.2 59.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 13.2 m -68.21 90.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.42 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 37.2 m80 -55.75 -49.1 94.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 113.412 0.893 . . . . 1.0 113.412 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.42 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 76.4 Cg_exo -51.1 -58.96 1.34 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.915 1.743 . . . . 1.0 112.615 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.84 -42.79 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.553 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.57 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.539 HD23 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.534 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.519 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.55 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.735 HD11 HD21 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.651 HD21 HG11 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.453 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.512 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.0 t30 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.403 ' HA ' ' HB1' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.691 ' HG3' ' HB2' ' A' 1652 ' ' PRO . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.898 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1790 ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.898 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.621 ' HG3' ' HB2' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1794 ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.837 HG22 HG23 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.424 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.752 ' HB3' HD11 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.408 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.738 HG13 HG11 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.418 HD22 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.493 HG21 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.501 ' HB1' ' HB1' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1818 ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.501 ' HB1' ' HB1' ' A' 1817 ' ' ALA . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1649 ' ' GLY . . . . . 0.519 ' O ' HG12 ' A' 1650 ' ' ILE . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.653 -0.579 . . . . 1.0 111.653 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' 1649 ' ' GLY . 12.8 pt 56.31 11.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.923 1.289 . . . . 1.0 113.622 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.55 72.71 1.15 Allowed Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 122.888 0.475 . . . . 1.0 110.852 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.45 ' HD3' ' O ' ' A' 1649 ' ' GLY . 97.5 Cg_endo -88.2 151.74 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.995 2.463 . . . . 1.0 113.192 -172.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 32.5 p90 51.87 7.65 0.05 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.629 1.171 . . . . 1.0 113.4 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.465 ' OG1' ' HG2' ' A' 1658 ' ' GLN . 0.8 OUTLIER -152.0 -175.86 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 1.0 110.719 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.463 ' O ' ' HB2' ' A' 1658 ' ' GLN . . . -90.26 171.8 7.97 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.397 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.457 ' HD2' ' HB1' ' A' 1655 ' ' ALA . 80.2 Cg_exo -51.76 153.1 11.98 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.25 2.633 . . . . 1.0 112.638 169.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.582 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.739 ' HA ' HG12 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1664 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.502 HG22 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.56 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.649 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.451 ' O ' HG13 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.407 HD13 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.582 ' O ' HG21 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.835 HG13 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' 1703 ' ' LEU . 47.4 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.668 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.412 ' HB2' HG23 ' A' 1807 ' ' VAL . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.7 HD13 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.789 HG22 HG21 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.422 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.804 HD23 HD12 ' A' 1775 ' ' LEU . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.63 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.63 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.437 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.501 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.648 HD12 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.501 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.739 HG12 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1732 ' ' SER . . . . . 0.656 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.7 ' HB2' HD13 ' A' 1712 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1735 ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.656 ' HG3' ' O ' ' A' 1732 ' ' SER . 21.4 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.547 ' CE2' HD11 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.421 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.437 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.618 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.603 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.6 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.62 -29.18 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 23.4 m -67.66 97.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.943 0.402 . . . . 1.0 110.25 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -57.7 -45.61 99.81 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.98 -2.76 3.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.342 2.028 . . . . 1.0 113.512 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -120.06 -51.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.6 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.603 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.427 HD21 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.465 ' HG3' ' O ' ' A' 1760 ' ' ALA . 24.9 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.504 HD12 ' HB2' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.56 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.585 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.502 HD11 HG22 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.804 HD12 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.614 HD23 HG11 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.473 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.2 t30 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.789 HG21 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.757 ' HB3' HD12 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.483 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.504 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.835 HG13 HG13 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1809 ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.438 HG21 HD21 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.24 -0.344 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 15.1 tt -105.75 -13.99 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.907 0.384 . . . . 1.0 110.121 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 22.2 t70 68.36 89.9 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.154 -0.93 . . . . 1.0 110.812 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -88.84 149.54 5.92 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.869 2.379 . . . . 1.0 111.795 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.414 ' O ' ' HB ' ' A' 1654 ' ' THR . 98.2 m-85 62.45 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.263 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' 1653 ' ' PHE . 9.0 t 173.37 165.93 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.048 0.139 . . . . 1.0 110.973 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 87.05 161.2 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.625 0 O-C-N 124.348 1.03 . . . . 1.0 113.132 165.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.569 ' O ' ' HB2' ' A' 1724 ' ' ALA . 13.0 Cg_exo -70.9 170.75 17.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.188 2.592 . . . . 1.0 111.298 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.506 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1667 ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1670 ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.464 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.67 ' HG ' HG21 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.586 ' HA ' HD12 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.48 ' HA ' HD22 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.422 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.437 ' HB1' HD12 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.422 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1684 ' ' SER . . . . . 0.439 ' HB3' HE21 ' A' 1686 ' ' GLN . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1686 ' ' GLN . . . . . 0.439 HE21 ' HB3' ' A' 1684 ' ' SER . 47.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.586 HD12 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.415 HD12 ' HB2' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.415 ' HB2' HD12 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.514 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1701 ' ' GLN . . . . . 0.584 HE21 ' HB2' ' A' 1744 ' ' ALA . 21.7 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.412 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.816 HG11 HG12 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.706 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.421 ' HB2' HG13 ' A' 1807 ' ' VAL . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.864 HG21 HG22 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.538 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.538 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.795 HD23 HD11 ' A' 1775 ' ' LEU . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.483 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.459 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.593 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.483 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.46 HG12 HD21 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.87 ' HB2' HD12 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.434 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.52 HD11 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.67 HG21 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB3' ' HE2' ' A' 1702 ' ' MET . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.425 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.486 ' HB3' HD23 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.547 HG21 ' CB ' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.19 91.84 3.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 15.8 t -162.57 -145.25 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.224 -0.898 . . . . 1.0 108.73 -173.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.478 ' HB3' ' CD ' ' A' 1756 ' ' PRO . 50.6 m80 -67.91 172.04 4.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 175.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.478 ' CD ' ' HB3' ' A' 1755 ' ' HIS . 51.7 Cg_exo -57.91 8.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.546 2.83 . . . . 1.0 115.546 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.41 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 -56.63 -37.28 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.422 ' HB2' HG23 ' A' 1813 ' ' THR . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.413 HD13 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.531 ' HA ' HD11 ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.436 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.545 ' HB3' ' HE2' ' A' 1803 ' ' MET . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.795 HD11 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.46 HD21 HG12 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.477 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.55 ' HB2' HG23 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.486 ' HB1' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.593 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 1.001 HD22 ' HB2' ' A' 1788 ' ' GLN . 20.7 t30 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 1.001 ' HB2' HD22 ' A' 1785 ' ' ASN . 16.8 mm100 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.668 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.668 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 1789 ' ' ALA . 78.1 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.476 ' HA ' HG13 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.864 HG22 HG21 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.742 ' HB3' HD12 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB1' HD12 ' A' 1768 ' ' LEU . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.816 HG12 HG11 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.628 HD21 HG23 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.422 HG23 ' HB2' ' A' 1760 ' ' ALA . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1810 ' ' LEU . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.758 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.547 ' CB ' HG21 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.669 -0.572 . . . . 1.0 111.669 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 49.5 pt -76.35 -26.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.904 0.352 . . . . 1.0 110.131 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' 1653 ' ' PHE . 1.7 m-20 54.31 81.91 0.25 Allowed Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.327 -0.852 . . . . 1.0 111.654 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.35 13.7 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.672 2.248 . . . . 1.0 111.756 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 12.3 m-85 -100.69 -167.63 1.46 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.302 -0.863 . . . . 1.0 109.136 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.9 t -167.91 89.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.381 0.61 . . . . 1.0 111.938 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 179.36 157.23 0.69 Allowed Pre-proline 0 C--O 1.237 0.421 0 CA-C-N 115.316 -0.857 . . . . 1.0 110.205 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.423 ' O ' ' HB3' ' A' 1724 ' ' ALA . 31.4 Cg_exo -60.31 147.41 93.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.452 2.102 . . . . 1.0 111.091 170.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.414 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.732 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.678 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.678 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.782 HD13 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.548 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.782 ' SG ' HD13 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.688 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1677 ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.601 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.568 ' NH2' ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.542 HD12 ' HB2' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.543 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.406 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.542 ' HB2' HD12 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.594 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.55 HD23 HG22 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.598 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.846 HG11 HG11 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.661 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.489 ' HB2' HG12 ' A' 1807 ' ' VAL . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.817 HG21 HG21 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' 1714 ' ' GLU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.755 HD23 HD13 ' A' 1775 ' ' LEU . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.583 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.545 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.411 HD11 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.885 HG13 HD23 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.575 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.474 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.553 HD12 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.688 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.456 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.659 HG22 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.554 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.65 ' HB2' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.601 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.568 ' HA ' ' NH2' ' A' 1690 ' ' ARG . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.6 87.3 5.05 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 21.1 t -146.44 -59.05 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.188 -0.915 . . . . 1.0 109.964 -172.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.539 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 51.6 m80 -152.46 172.2 5.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.127 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.539 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 79.7 Cg_exo -50.87 -17.96 3.79 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.877 2.384 . . . . 1.0 112.934 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.569 ' OE1' HG21 ' A' 1813 ' ' THR . 10.3 mm-40 -45.88 -41.16 10.96 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.329 0.652 . . . . 1.0 111.941 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.65 HD11 ' HB2' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.441 HG23 HD21 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.54 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.479 HD13 ' HB3' ' A' 1806 ' ' ALA . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.588 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.755 HD13 HD23 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.885 HD23 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.606 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.605 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.542 ' HB2' HG23 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.545 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.715 HD22 ' HB2' ' A' 1788 ' ' GLN . 49.1 t30 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.715 ' HB2' HD22 ' A' 1785 ' ' ASN . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.484 ' HB1' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.605 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.672 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.583 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.672 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.817 HG21 HG21 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.761 ' HB3' HD12 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.479 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.846 HG11 HG11 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.508 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.55 HG22 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.569 HG21 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.434 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.336 -0.306 . . . . 1.0 112.336 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.479 ' H ' HD11 ' A' 1650 ' ' ILE . 0.2 OUTLIER -132.66 173.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.16 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -119.43 99.27 50.18 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.456 0.646 . . . . 1.0 110.358 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.08 -19.4 12.22 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.738 2.292 . . . . 1.0 111.807 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.543 ' HB3' ' OD1' ' A' 1785 ' ' ASN . 94.0 m-85 -105.24 -174.21 2.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.542 -0.91 . . . . 1.0 108.542 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.5 t -147.12 101.53 3.41 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.047 -0.661 . . . . 1.0 112.506 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 178.95 146.93 0.38 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.846 -1.07 . . . . 1.0 109.964 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.65 130.48 28.17 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.397 2.065 . . . . 1.0 110.793 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.767 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.614 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.576 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.818 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.469 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.818 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.466 HD11 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.726 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.504 HD22 ' HB1' ' A' 1749 ' ' ALA . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.574 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.574 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.411 ' H ' HG13 ' A' 1693 ' ' ILE . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.414 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.414 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.483 ' CE ' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.617 HD21 HD22 ' A' 1815 ' ' ASN . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.582 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.54 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.594 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.698 ' HB2' HG13 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.74 HD11 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.405 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.728 HD22 HD13 ' A' 1775 ' ' LEU . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1718 ' ' SER . . . . . 0.492 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.488 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.645 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1729 ' ' HIS . . . . . 0.461 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.645 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.767 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1732 ' ' SER . . . . . 0.631 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.6 ' HB2' HD11 ' A' 1712 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.631 ' HG3' ' O ' ' A' 1732 ' ' SER . 19.9 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1737 ' ' TYR . . . . . 0.48 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.516 ' CE2' HD11 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.436 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.436 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.692 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.656 HG22 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.622 HG21 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.51 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.469 ' HB2' HD13 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.722 ' HB3' HD21 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.525 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.517 ' CG2' ' HB2' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.72 -15.4 48.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 18.6 m -88.69 100.29 13.01 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.596 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 37.2 m170 -60.03 -53.36 65.97 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.83 0.678 . . . . 1.0 112.83 -171.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' 1755 ' ' HIS . 21.9 Cg_endo -61.59 -23.48 76.53 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.789 1.659 . . . . 1.0 112.463 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.509 ' HG2' ' HB3' ' A' 1821 ' ' ALA . 4.9 tp-100 -88.8 -41.43 12.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.659 -177.314 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.692 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1759 ' ' MET . . . . . 0.528 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.469 HD13 ' HB2' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.722 HD21 ' HB3' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.692 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.726 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.465 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.572 ' HB2' ' HE2' ' A' 1803 ' ' MET . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.728 HD13 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.699 HD21 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.614 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.452 ' HB3' HG23 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.543 ' OD1' ' HB3' ' A' 1653 ' ' PHE . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB2' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.467 ' HA ' HG13 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.651 ' HA ' HE21 ' A' 1801 ' ' GLN . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.467 HG13 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.651 HE21 ' HA ' ' A' 1798 ' ' GLU . 24.9 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.74 ' HB3' HD11 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.698 HG13 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.4 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.449 HG21 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.483 HD21 ' CE ' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.617 HD22 HD21 ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.454 ' HB3' ' HB1' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.517 ' HB2' ' CG2' ' A' 1752 ' ' THR . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.127 -0.389 . . . . 1.0 112.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.454 HG13 ' HD3' ' A' 1652 ' ' PRO . 34.2 pt -119.66 -175.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -119.51 82.24 24.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.723 0.296 . . . . 1.0 110.65 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.454 ' HD3' HG13 ' A' 1650 ' ' ILE . 90.5 Cg_endo -93.09 170.17 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.151 2.567 . . . . 1.0 110.631 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 19.5 m-85 54.75 38.22 29.75 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 47.3 p -39.57 107.7 0.07 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.418 -1.264 . . . . 1.0 114.167 -164.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -170.75 152.83 3.87 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.874 -1.057 . . . . 1.0 109.47 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.526 ' O ' ' HB2' ' A' 1724 ' ' ALA . 31.9 Cg_exo -60.43 140.43 91.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.243 1.962 . . . . 1.0 110.844 173.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 1652 ' ' PRO . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.571 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.498 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.55 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.68 ' HG ' HG21 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1677 ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' 1677 ' ' GLN . 0.0 OUTLIER -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.625 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.414 ' HB2' HD12 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.414 HD12 ' HB2' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.65 ' HD3' HD23 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.586 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.477 HG13 ' HB3' ' A' 1697 ' ' ALA . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.482 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.477 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.65 HD23 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' 1696 ' ' GLU . 3.4 t-80 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.538 ' O ' HG22 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.404 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.538 HG22 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.734 ' HB2' HG12 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.754 HG22 HG21 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.442 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.464 ' HG2' ' O ' ' A' 1712 ' ' LEU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.577 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.731 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.418 ' HD3' ' HB1' ' A' 1722 ' ' ALA . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1722 ' ' ALA . . . . . 0.418 ' HB1' ' HD3' ' A' 1721 ' ' ARG . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.589 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.731 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.437 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.571 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.635 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.479 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.424 ' O ' HD12 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.68 HG21 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.424 HD12 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.429 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.586 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.643 ' HB1' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.567 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.453 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.8 -28.55 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 20.0 m -70.45 87.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.488 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.449 ' HA ' ' HB3' ' A' 1758 ' ' GLN . 93.8 m-70 -57.2 -45.3 99.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.371 -0.832 . . . . 1.0 112.76 -171.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.77 -38.59 57.05 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 1.0 113.268 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.509 ' HG3' ' HB3' ' A' 1820 ' ' ALA . 30.0 mm-40 -83.04 -42.62 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.567 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.643 HD11 ' HB1' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.625 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.478 HE21 ' HA ' ' A' 1810 ' ' LEU . 25.1 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.431 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.405 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.683 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.407 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1774 ' ' GLN . . . . . 0.501 HE21 ' HA ' ' A' 1799 ' ' ALA . 30.0 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.555 HD13 HD21 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.524 HD21 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.407 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.498 ' HB1' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.589 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.3 t30 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.498 HG22 ' HB1' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.527 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1794 ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.55 ' HA ' HG11 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1799 ' ' ALA . . . . . 0.501 ' HA ' HE21 ' A' 1774 ' ' GLN . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.754 HG21 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.683 ' HE3' ' HB1' ' A' 1772 ' ' ALA . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.734 HG12 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.478 ' HA ' HE21 ' A' 1764 ' ' GLN . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.439 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 0.9 OUTLIER -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.509 ' HB3' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.29 -0.324 . . . . 1.0 112.29 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.0 tp -107.94 133.47 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 18.3 t0 -126.02 100.32 30.49 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 120.918 0.39 . . . . 1.0 109.977 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.554 ' HB2' ' HB3' ' A' 1788 ' ' GLN . 73.3 Cg_endo -93.35 111.86 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.273 2.649 . . . . 1.0 112.957 -176.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.499 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 26.0 p90 -156.39 138.97 14.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 13.2 t -175.02 29.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.128 0.49 . . . . 1.0 111.489 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.477 ' O ' ' HB3' ' A' 1658 ' ' GLN . . . -133.4 162.24 58.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 122.049 -0.407 . . . . 1.0 111.206 -175.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.443 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo -68.05 144.95 65.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.763 2.308 . . . . 1.0 111.384 174.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.499 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.653 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1664 ' ' ALA . . . . . 0.472 ' HB2' ' HB1' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.505 HG21 HD13 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.434 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.705 HD12 ' HA ' ' A' 1766 ' ' LYS . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.45 ' HB1' HG23 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.695 ' HB1' HD21 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.695 HD21 ' HB1' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.491 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.495 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.617 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.53 HD13 HD22 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.53 HD22 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' 1814 ' ' LEU . 44.8 t-80 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.598 ' O ' HG21 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.524 HD21 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.52 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.56 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.789 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.52 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.691 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.502 ' HA ' ' CD1' ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.763 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.862 HG23 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.403 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.436 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.661 HD22 HD11 ' A' 1775 ' ' LEU . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.655 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.455 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.655 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1729 ' ' HIS . . . . . 0.468 ' O ' ' HG3' ' A' 1733 ' ' GLN . 62.4 t60 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.657 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.763 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1735 ' ' ALA . . . . . 0.472 ' HB1' ' HB2' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.455 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD12 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.67 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.617 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.477 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.633 HG21 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.493 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.639 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.503 ' HB2' HD23 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.491 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.639 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp -97.06 -30.72 12.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1754 ' ' SER . . . . . 0.413 ' HB3' ' OE1' ' A' 1757 ' ' GLN . 51.8 m -66.48 104.88 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.054 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.401 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 39.6 m80 -61.47 -45.23 94.2 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 113.278 0.844 . . . . 1.0 113.278 -171.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 44.1 Cg_exo -59.23 -13.69 20.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.615 2.21 . . . . 1.0 113.74 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.413 ' OE1' ' HB3' ' A' 1754 ' ' SER . 27.2 mp0 -106.01 -53.59 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 175.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.569 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.503 HD23 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.482 ' OG1' ' HE2' ' A' 1702 ' ' MET . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.705 ' HA ' HD12 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.604 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.505 HD13 HG21 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1774 ' ' GLN . . . . . 0.823 ' HA ' HE21 ' A' 1774 ' ' GLN . 0.0 OUTLIER -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.661 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.657 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.574 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.574 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.455 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.569 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.723 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.723 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.814 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.814 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG23 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.497 ' HA ' HG21 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.497 HG21 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.629 ' HB2' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.789 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1809 ' ' ASP . . . . . 0.41 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.477 HD23 HG22 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.524 HG23 HD21 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' 1699 ' ' HIS . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.896 -0.482 . . . . 1.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.1 tt -135.89 135.49 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.489 ' HB2' ' CE2' ' A' 1653 ' ' PHE . 7.8 p-10 -127.58 107.77 20.85 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.471 0.653 . . . . 1.0 110.065 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.473 ' HG2' ' HG3' ' A' 1781 ' ' GLU . 90.1 Cg_endo -83.88 -11.34 8.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.779 2.319 . . . . 1.0 112.46 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' 1780 ' ' LYS . 0.4 OUTLIER -77.99 -71.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.714 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.487 HG22 ' O ' ' A' 1654 ' ' THR . 41.1 m 63.92 46.36 3.9 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.787 0.803 . . . . 1.0 111.13 170.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' 1783 ' ' GLY . . . -158.38 160.73 29.46 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.711 -0.618 . . . . 1.0 111.779 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.6 165.94 12.61 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.148 2.566 . . . . 1.0 112.137 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1658 ' ' GLN . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG12 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 1772 ' ' ALA . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.681 ' HG ' HG22 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.594 ' HB2' HG11 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.409 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.678 ' HB2' HD21 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.678 HD21 ' HB2' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.586 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.452 HG13 ' HB2' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.517 ' HA ' HD11 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.484 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.452 ' HB2' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.517 HD11 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.408 ' CE ' HD23 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.699 ' HG ' HD22 ' A' 1815 ' ' ASN . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.562 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.722 HG21 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 25.9 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1708 ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.712 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.562 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.693 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.804 HG21 HG21 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.429 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' 1714 ' ' GLU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.704 HD23 HD13 ' A' 1775 ' ' LEU . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1717 ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.641 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.47 ' HB2' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.641 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.744 HG11 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 47.1 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.735 ' HE2' HG12 ' A' 1713 ' ' ILE . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1737 ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.627 ' CE1' HD11 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.45 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.45 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.63 HD23 HG21 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.681 HG22 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.706 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.461 ' HB3' HD11 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.586 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.501 ' HB ' ' CB ' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.1 15.77 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1754 ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' 1755 ' ' HIS . 6.3 m -85.73 63.09 7.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.204 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.804 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 44.9 m80 71.46 170.02 0.12 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.254 -175.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.804 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 45.2 Cg_endo -67.26 29.87 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.064 2.509 . . . . 1.0 114.791 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.422 ' H ' ' C ' ' A' 1755 ' ' HIS . 79.1 mt-30 -64.62 -38.42 90.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 174.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.706 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.501 HD21 HD22 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.677 HD21 ' HB1' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.63 HG21 HD23 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.554 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.589 ' HB1' ' HE2' ' A' 1803 ' ' MET . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.704 HD13 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.744 HD22 HG11 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1779 ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.537 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.473 ' HG3' ' HG2' ' A' 1652 ' ' PRO . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1783 ' ' GLY . . . . . 0.45 ' O ' ' HB3' ' A' 1655 ' ' ALA . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.873 HD22 ' HB2' ' A' 1788 ' ' GLN . 37.2 t30 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.873 ' HB2' HD22 ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.671 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.671 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' 1720 ' ' ALA . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.804 HG21 HG21 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG21 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.721 ' HB3' HD11 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.409 HG21 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.722 HG13 HG21 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.501 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.501 HD22 HD21 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.699 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.489 ' HB1' HG22 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.932 -0.467 . . . . 1.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 31.0 pt -91.74 125.41 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.008 0.432 . . . . 1.0 110.541 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -76.6 114.7 41.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.208 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.761 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 33.4 Cg_exo -61.69 -42.93 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.725 2.283 . . . . 1.0 113.264 -176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.407 ' CZ ' ' HG3' ' A' 1781 ' ' GLU . 10.1 m-85 -125.86 42.48 3.29 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.528 0.936 . . . . 1.0 113.528 -173.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.8 m 67.47 33.85 4.99 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 159.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.452 ' HB2' ' OE1' ' A' 1658 ' ' GLN . . . -156.05 163.58 24.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.167 -0.958 . . . . 1.0 112.824 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.482 ' O ' ' HB2' ' A' 1724 ' ' ALA . 2.8 Cg_exo -81.02 109.15 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.794 2.996 . . . . 1.0 112.171 169.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.761 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.664 ' HA ' HG12 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.464 HG23 HD12 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.617 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.765 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.439 ' O ' HG13 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.711 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.711 HD22 ' HB2' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.51 ' O ' HD12 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.715 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.801 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.513 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.801 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.472 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.578 HD22 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.603 ' HB3' HD22 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.816 HG11 HG12 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' 1703 ' ' LEU . 36.8 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.713 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.717 ' HB2' HG13 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.746 HD13 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.852 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.436 ' HG2' ' O ' ' A' 1712 ' ' LEU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.789 HD22 HD12 ' A' 1775 ' ' LEU . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.507 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.468 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.424 HD11 ' HB2' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1729 ' ' HIS . . . . . 0.415 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.477 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.689 HG11 HD21 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.683 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.746 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.683 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.0 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1737 ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.519 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.674 HG21 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.513 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.462 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.497 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.715 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.448 HG21 ' HB3' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp -124.7 -6.57 7.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1754 ' ' SER . . . . . 0.527 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 4.0 m -69.37 101.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.825 -174.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.917 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 18.0 m-70 63.78 -169.19 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.796 0 CA-C-O 119.138 -0.458 . . . . 1.0 109.915 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.917 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 71.6 Cg_endo -77.61 20.33 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.499 1.466 . . . . 1.0 114.013 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.23 -46.71 82.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.607 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.3 tt0 -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1760 ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.497 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.47 HD22 ' HB1' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.567 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.765 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.488 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.611 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.501 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.789 HD12 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.689 HD21 HG11 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.501 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1778 ' ' THR . . . . . 0.54 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1779 ' ' ALA . . . . . 0.424 ' HB2' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.565 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.407 ' HG3' ' CZ ' ' A' 1653 ' ' PHE . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.507 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.412 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.764 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1791 ' ' HIS . . . . . 0.548 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.764 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1794 ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.523 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.54 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.503 ' HA ' HG13 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.852 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' 1797 ' ' GLU . 33.0 mm-40 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.756 ' HB3' HD11 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.816 HG12 HG11 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1808 ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.578 HG23 HD22 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.639 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.434 HG21 ' HB2' ' A' 1760 ' ' ALA . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.536 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.639 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.527 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.626 -0.589 . . . . 1.0 111.626 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 12.2 tt -145.52 143.13 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.798 0.332 . . . . 1.0 110.245 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.47 83.66 5.61 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.716 -0.846 . . . . 1.0 108.716 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.28 -9.6 24.55 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.748 2.299 . . . . 1.0 113.459 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.697 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 97.4 m-85 -96.09 20.86 9.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.74 0.305 . . . . 1.0 111.408 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 5.1 m 69.79 38.1 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.684 0.624 . . . . 1.0 112.684 165.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -166.73 167.66 7.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 121.72 -0.612 . . . . 1.0 112.535 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.591 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo -82.01 142.54 12.44 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.404 2.736 . . . . 1.0 111.233 167.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.697 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.783 ' HA ' HG12 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1664 ' ' ALA . . . . . 0.495 ' HB2' ' HB1' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' 1661 ' ' CYS . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.531 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.507 HD12 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.678 ' HG ' HG22 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.51 ' HB2' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.546 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.465 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.469 HG13 ' HB1' ' A' 1697 ' ' ALA . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.504 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.483 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.469 ' HB1' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.663 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.607 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.579 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.662 ' HA ' HE21 ' A' 1707 ' ' GLN . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.674 ' HB2' HD22 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.726 HG12 HG11 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.662 HE21 ' HA ' ' A' 1704 ' ' THR . 47.6 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.722 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.72 ' HB2' HG12 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.832 HG23 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.81 HD22 HD12 ' A' 1775 ' ' LEU . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.649 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1722 ' ' ALA . . . . . 0.406 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' 1656 ' ' PRO . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.539 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.783 HG12 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.58 ' O ' ' HG2' ' A' 1736 ' ' GLN . 25.9 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.75 ' HB2' HD12 ' A' 1712 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1735 ' ' ALA . . . . . 0.495 ' HB1' ' HB2' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' 1733 ' ' GLN . 7.8 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.521 ' CE1' HD12 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.674 HD22 ' HB2' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.73 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.509 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.607 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.433 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.596 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.467 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.471 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp -98.41 84.8 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.2 t -149.5 -159.13 0.99 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.642 -0.873 . . . . 1.0 108.642 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.588 ' HD2' ' HG2' ' A' 1757 ' ' GLN . 15.1 p-80 -61.94 162.87 15.01 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 170.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.08 18.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 124.337 3.358 . . . . 1.0 117.3 -166.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.612 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 118.789 0.722 . . . . 1.0 109.952 171.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.452 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1759 ' ' MET . . . . . 0.452 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.596 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.41 HG21 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.567 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.504 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.507 ' HG3' HD12 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.549 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.434 HD12 HG21 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.81 HD12 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.765 HD22 HG11 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.469 ' HE3' ' CE2' ' A' 1653 ' ' PHE . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.525 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.632 ' HB3' HG23 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1783 ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.585 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.799 HD22 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.799 ' HB2' HD22 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.632 HG23 ' HB3' ' A' 1782 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.53 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.649 HD21 ' HB1' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.553 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.832 HG23 HG23 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.553 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.787 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.448 ' HB2' HD12 ' A' 1768 ' ' LEU . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.726 HG11 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.612 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.663 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.8 OUTLIER -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.423 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.914 -0.474 . . . . 1.0 111.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' 1651 ' ' ASP . 31.7 pt -83.88 -39.26 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.683 ' HB3' ' HB ' ' A' 1654 ' ' THR . 12.5 t70 171.36 100.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 107.499 -1.297 . . . . 1.0 107.499 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.95 106.89 0.18 Allowed 'Trans proline' 0 N--CA 1.47 0.144 0 C-N-CA 123.463 2.775 . . . . 1.0 113.41 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.678 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 41.6 m-85 58.66 44.67 17.05 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.747 0.784 . . . . 1.0 109.289 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.683 ' HB ' ' HB3' ' A' 1651 ' ' ASP . 12.2 t -43.16 124.81 3.43 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 113.436 -1.711 . . . . 1.0 114.522 -168.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.413 ' HB2' ' OE1' ' A' 1658 ' ' GLN . . . -164.84 171.08 5.8 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.373 -1.285 . . . . 1.0 108.236 174.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.406 ' O ' ' HB2' ' A' 1724 ' ' ALA . 15.0 Cg_exo -69.77 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.02 1.813 . . . . 1.0 111.799 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.413 ' OE1' ' HB2' ' A' 1655 ' ' ALA . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1659 ' ' LEU . . . . . 0.466 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.713 ' HA ' HG12 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.466 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1664 ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.573 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.436 HD12 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.678 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1676 ' ' ASP . . . . . 0.526 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.459 ' HA ' HD23 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.788 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.788 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.521 HG12 ' HB1' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.47 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.54 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.521 ' HB1' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.492 HD13 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1701 ' ' GLN . . . . . 0.544 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.554 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.457 HD21 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.658 HG12 HG11 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1708 ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.821 HG21 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.434 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.644 HD21 HD11 ' A' 1775 ' ' LEU . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1718 ' ' SER . . . . . 0.528 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.55 ' HB1' HD22 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.594 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.618 ' O ' ' HG2' ' A' 1730 ' ' LYS . 18.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.424 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.713 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.696 ' HB2' HD13 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1735 ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.6 ' CE1' HD12 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.486 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.486 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.462 ' HA ' HD22 ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.678 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.617 HD12 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.544 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.592 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.678 ' HB3' HD13 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.662 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.592 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.57 -11.19 18.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 42.2 t -71.81 103.39 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.112 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.508 ' CE1' ' HG3' ' A' 1759 ' ' MET . 64.0 t60 -51.2 -52.39 59.28 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.61 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' 1755 ' ' HIS . 38.3 Cg_endo -65.58 -6.12 13.07 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.305 2.004 . . . . 1.0 113.599 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.895 HE21 ' HA ' ' A' 1757 ' ' GLN . 0.0 OUTLIER -113.89 -50.38 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 177.711 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.662 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1759 ' ' MET . . . . . 0.508 ' HG3' ' CE1' ' A' 1755 ' ' HIS . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.678 HD13 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.526 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.551 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.436 ' CG ' HD12 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.589 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.511 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.644 HD11 HD21 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.708 HD23 HG11 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.511 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.571 ' HZ2' ' HB3' ' A' 1780 ' ' LYS . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.622 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1783 ' ' GLY . . . . . 0.424 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.594 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.678 ' ND2' ' HB3' ' A' 1653 ' ' PHE . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.431 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.504 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.6 tp60 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.623 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.623 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.6 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.55 HD22 ' HB1' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.577 ' HA ' HG13 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.821 HG23 HG21 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.794 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.482 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.658 HG11 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.457 HG23 HD21 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.439 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1813 ' ' THR . . . . . 0.56 HG21 ' NE2' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.54 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1649 ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' 1659 ' ' LEU . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.594 -0.202 . . . . 1.0 112.594 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.1 tp -161.58 129.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.878 0.37 . . . . 1.0 110.358 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -98.63 107.96 45.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.444 0.64 . . . . 1.0 110.335 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.585 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 95.0 Cg_endo -86.61 -2.25 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.54 2.16 . . . . 1.0 112.87 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.416 ' CG ' ' HA ' ' A' 1781 ' ' GLU . 83.0 m-85 -137.87 25.49 2.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.338 0.496 . . . . 1.0 112.338 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' 1655 ' ' ALA . 60.9 m 61.34 80.49 0.22 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 166.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.566 ' HB1' ' OE1' ' A' 1658 ' ' GLN . . . 166.69 164.92 0.11 Allowed Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.64 0.776 . . . . 1.0 110.501 172.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -73.5 -0.0 8.68 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.1 2.534 . . . . 1.0 113.434 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1657 ' ' GLY . . . . . 0.524 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.585 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1659 ' ' LEU . . . . . 0.405 ' CD1' ' HA2' ' A' 1649 ' ' GLY . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.509 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.527 HG21 HD12 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.734 HD11 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.608 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.734 ' SG ' HD11 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.439 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.668 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.406 ' HB3' HG12 ' A' 1746 ' ' VAL . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1684 ' ' SER . . . . . 0.457 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1686 ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.481 ' HB2' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.481 ' HD2' ' HB2' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.59 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.559 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.59 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.416 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.43 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.521 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.416 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.46 HD13 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.521 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.621 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.64 HD22 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD23 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.824 HG12 HG11 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.62 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.726 ' HB2' HG12 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.639 HD13 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' 1709 ' ' ILE . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.409 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.587 HD21 HD12 ' A' 1775 ' ' LEU . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1717 ' ' ALA . . . . . 0.475 ' HB3' HG23 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1718 ' ' SER . . . . . 0.432 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.432 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1722 ' ' ALA . . . . . 0.419 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.431 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.526 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.846 HE21 ' HA ' ' A' 1726 ' ' GLN . 0.0 OUTLIER -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.524 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.609 HG13 HD21 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.613 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.639 ' HB2' HD13 ' A' 1712 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.533 ' CZ ' ' HG ' ' A' 1768 ' ' LEU . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.457 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.517 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.75 HD23 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.668 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.559 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.621 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1745 ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.582 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.858 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.46 ' HD3' HD13 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.582 ' HB ' ' O ' ' A' 1748 ' ' ALA . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.53 -14.5 59.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.5 m -80.96 92.37 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.642 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 55.6 m80 -58.26 -54.35 56.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 1.0 112.099 -171.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.642 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 52.7 Cg_exo -55.85 -23.31 41.66 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.322 2.015 . . . . 1.0 113.329 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -83.54 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.858 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.558 HD13 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.452 HD21 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.53 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.533 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.637 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.527 HD12 HG21 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.587 HD12 HD21 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.609 HD21 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.491 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.526 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.821 HD22 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.47 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.821 ' HB2' HD22 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.795 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.795 ' HB ' ' HB3' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.475 HG23 ' HB3' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.637 ' HE3' ' HB2' ' A' 1772 ' ' ALA . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.824 HG11 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.505 HD22 HG22 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.64 HG23 HD22 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.463 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.407 HD21 HD21 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.804 ' HA ' ' HB1' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1818 ' ' ALA . . . . . 0.447 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.804 ' HB1' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.713 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.93 149.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 174.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -122.19 93.55 48.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.69 0.281 . . . . 1.0 111.144 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.597 ' HD2' ' HG2' ' A' 1781 ' ' GLU . 86.0 Cg_endo -89.26 108.97 0.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.038 2.492 . . . . 1.0 111.857 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.979 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 37.5 p90 -158.73 141.9 14.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.779 0.323 . . . . 1.0 111.269 -177.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.5 t -164.48 26.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.098 0.475 . . . . 1.0 111.189 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.484 ' HB2' ' OE1' ' A' 1658 ' ' GLN . . . -146.39 171.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.388 -173.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' 1655 ' ' ALA . 50.2 Cg_exo -59.51 159.82 22.42 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.096 2.531 . . . . 1.0 112.699 174.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.979 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.708 ' HA ' HG12 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.405 HG22 HD12 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.758 HD13 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.758 ' SG ' HD13 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.463 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.658 ' HG ' HG22 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.504 ' HB3' HG11 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.534 ' HA ' HD23 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.416 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.428 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' 1690 ' ' ARG . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.623 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.613 ' SD ' ' HB3' ' A' 1744 ' ' ALA . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.58 HD22 HG21 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.78 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.751 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.666 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.503 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.649 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.763 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.419 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.789 HD23 HD12 ' A' 1775 ' ' LEU . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.736 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.434 ' HB1' HD21 ' A' 1796 ' ' LEU . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.736 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.494 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.708 HG12 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.726 ' HE2' HG12 ' A' 1713 ' ' ILE . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1737 ' ' TYR . . . . . 0.411 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.53 ' CE1' HD11 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.436 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.715 ' O ' HG22 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.428 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.613 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.715 HG22 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.67 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.677 ' HB2' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.564 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.67 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.444 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.29 3.56 14.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.7 m -58.84 -63.32 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.789 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.519 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 10.0 m80 -155.6 177.87 1.88 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.26 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.519 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 51.0 Cg_exo -56.86 -1.8 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 123.256 2.638 . . . . 1.0 114.587 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -49.45 -38.84 31.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.564 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.677 HD11 ' HB2' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.496 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.567 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.405 HD12 HG22 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.789 HD12 HD23 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.672 HD21 HG11 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.627 ' HB2' HG22 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.417 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.494 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.837 HD22 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB3' HD22 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.821 ' HB2' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.821 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.41 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.434 HD21 ' HB1' ' A' 1720 ' ' ALA . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.524 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.763 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.751 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.428 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.58 HG21 HD22 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.44 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.656 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.444 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1822 ' ' GLY . . . . . 0.623 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 8.8 tt -148.63 116.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.276 0.56 . . . . 1.0 110.862 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' 1652 ' ' PRO . 7.1 p-10 -125.97 115.86 24.15 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.507 173.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.855 ' HG2' ' HB3' ' A' 1781 ' ' GLU . 5.2 Cg_exo -78.42 125.33 6.91 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 123.225 2.616 . . . . 1.0 112.893 -176.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 30.0 t80 -169.86 108.92 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.411 175.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.0 t -174.51 32.76 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.876 0.37 . . . . 1.0 111.622 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.68 ' HB2' ' HB2' ' A' 1785 ' ' ASN . . . -147.31 164.99 20.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 122.063 -0.398 . . . . 1.0 111.442 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.51 153.91 76.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.714 2.276 . . . . 1.0 111.486 170.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.762 ' HA ' HG13 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.51 HG23 HD12 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.579 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.459 HD13 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.652 ' HG ' HG22 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.636 ' HB1' HG11 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.416 HD22 ' CG1' ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.703 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.448 HG22 HD23 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.545 ' HA ' ' HZ1' ' A' 1751 ' ' LYS . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.441 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.72 HD21 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.441 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.502 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.641 HD22 HG21 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.588 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.716 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.705 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.415 ' HB2' HG11 ' A' 1807 ' ' VAL . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.868 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.833 HG22 HG22 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.689 HD22 HD11 ' A' 1775 ' ' LEU . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.657 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.646 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.657 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.646 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1729 ' ' HIS . . . . . 0.418 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.465 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.762 HG13 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' 1729 ' ' HIS . 22.5 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.868 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.624 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.652 HG22 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.703 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.72 ' HA ' HD21 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1745 ' ' ALA . . . . . 0.425 ' HB3' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.636 HG11 ' HB1' ' A' 1678 ' ' ALA . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.698 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.703 ' HB2' HD12 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.511 ' HB3' HD12 ' A' 1762 ' ' LEU . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.698 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.464 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.13 -30.84 62.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 40.3 t -68.98 89.15 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.602 ' N ' ' HD2' ' A' 1756 ' ' PRO . 32.5 m170 -60.63 -44.52 95.6 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 113.34 0.867 . . . . 1.0 113.34 -172.004 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' 1755 ' ' HIS . 5.7 Cg_endo -49.07 -51.97 9.61 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.178 1.919 . . . . 1.0 112.608 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.73 -34.58 52.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.857 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.502 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.703 HD12 ' HB2' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.511 HD12 ' HB3' ' A' 1749 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.536 ' NE2' ' HA ' ' A' 1810 ' ' LEU . 24.1 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.459 ' HG3' HD13 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.554 HD11 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.633 ' HB3' ' HE3' ' A' 1803 ' ' MET . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.689 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.598 HD23 HG12 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1779 ' ' ALA . . . . . 0.417 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.453 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.855 ' HB3' ' HG2' ' A' 1652 ' ' PRO . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.68 ' HB2' ' HB2' ' A' 1655 ' ' ALA . 4.6 t30 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.589 ' HB3' ' NE2' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.587 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.876 ' HB3' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.876 ' HB ' ' HB3' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.589 ' NE2' ' HB3' ' A' 1786 ' ' PRO . 47.3 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.833 HG22 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1801 ' ' GLN . . . . . 0.422 ' O ' HG21 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.456 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.72 ' HB3' HD11 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.422 HG21 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.716 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.641 HG21 HD22 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.508 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.429 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.464 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.031 -0.428 . . . . 1.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 38.1 pt -81.05 166.58 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.707 0.289 . . . . 1.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.18 77.99 76.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 121.079 0.466 . . . . 1.0 111.205 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -97.12 -80.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.104 2.536 . . . . 1.0 113.188 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.783 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 45.8 p90 -169.49 142.17 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.4 p -149.86 32.43 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.47 0.915 . . . . 1.0 113.47 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.434 ' O ' ' HB2' ' A' 1658 ' ' GLN . . . -152.29 164.61 19.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 C-N-CA 120.599 -0.44 . . . . 1.0 111.582 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -63.66 138.28 63.47 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.891 2.394 . . . . 1.0 112.041 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.783 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.735 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.551 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.495 HD13 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1676 ' ' ASP . . . . . 0.43 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.463 ' HB3' HD12 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1682 ' ' ALA . . . . . 0.482 ' HB3' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.482 HD22 ' HB3' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.496 ' HB2' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.518 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.518 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.561 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.667 HD21 HG21 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.529 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.521 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.643 ' HB2' HG13 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.591 HD13 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.727 HD12 ' HE3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.806 HD23 HD12 ' A' 1775 ' ' LEU . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1717 ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.634 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.645 ' HB2' HD23 ' A' 1796 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1721 ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.634 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.559 ' HB1' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.797 HG13 HD21 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.633 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.626 ' HE1' HD12 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.455 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.455 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.502 HD21 HG23 ' A' 1765 ' ' THR . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.676 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' 1702 ' ' MET . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.636 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.598 ' HB3' HD12 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.652 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.636 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.588 ' HB ' ' O ' ' A' 1748 ' ' ALA . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp -130.44 20.91 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1754 ' ' SER . . . . . 0.726 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 10.2 m -97.24 103.55 15.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.198 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.768 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 63.4 m-70 62.38 176.41 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 O-C-N 123.417 0.448 . . . . 1.0 110.727 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.768 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 47.4 Cg_endo -70.24 24.84 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.376 2.051 . . . . 1.0 112.864 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' 1755 ' ' HIS . 15.7 mm100 -66.3 -48.55 69.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.221 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.652 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.598 HD12 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.444 HD21 ' CB ' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.502 HG23 HD21 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.495 ' HG3' HD13 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.515 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1770 ' ' GLU . . . . . 0.492 ' HG3' HD12 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.588 ' HB3' ' HE1' ' A' 1803 ' ' MET . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.442 HD13 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.806 HD12 HD23 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.797 HD21 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.585 ' HG2' ' HB3' ' A' 1653 ' ' PHE . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.586 ' HB2' HG23 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.887 ' HA ' ' HB3' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1783 ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.559 ' HA3' ' HB1' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.485 ' ND2' ' H ' ' A' 1788 ' ' GLN . 11.8 t30 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.462 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.485 ' H ' ' ND2' ' A' 1785 ' ' ASN . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.887 ' HB3' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.586 HG23 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.645 HD23 ' HB2' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.727 ' HE3' HD12 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.515 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1809 ' ' ASP . . . . . 0.412 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.667 HG21 HD21 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.475 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.402 HD21 HD23 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.409 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.441 ' HB2' ' HB3' ' A' 1821 ' ' ALA . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.726 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.255 -0.338 . . . . 1.0 112.255 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1650 ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' 1650 ' ' ILE . 11.2 tp -100.57 9.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.751 0.786 . . . . 1.0 109.663 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.593 ' HB3' ' HB2' ' A' 1658 ' ' GLN . 5.0 m-20 -54.14 115.7 8.88 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.786 -1.097 . . . . 1.0 111.351 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.564 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 51.8 Cg_exo -54.89 -47.93 23.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.04 2.494 . . . . 1.0 112.487 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.567 ' CE1' ' HA ' ' A' 1781 ' ' GLU . 89.1 m-85 -89.82 18.4 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.797 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 15.0 t 47.08 50.16 14.31 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.999 0.919 . . . . 1.0 112.973 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -148.5 164.94 19.46 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.152 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.45 119.27 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.492 2.128 . . . . 1.0 111.446 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.593 ' HB2' ' HB3' ' A' 1651 ' ' ASP . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.732 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.522 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.629 ' HG ' HG22 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.568 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.421 ' HA ' HD22 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1682 ' ' ALA . . . . . 0.497 ' CB ' ' HB3' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.568 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.875 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.441 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.655 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.534 ' HA ' HD13 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1697 ' ' ALA . . . . . 0.655 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.534 HD13 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.687 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 5.8 t60 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.579 ' O ' HG22 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.44 HD22 HG21 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.758 HG13 HG12 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1708 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.66 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.786 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.8 HG21 HG21 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.449 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.449 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.711 HD21 HD12 ' A' 1775 ' ' LEU . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.617 ' HA ' HD21 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.41 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.811 HG13 HD23 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.786 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.589 ' CE1' HD11 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.432 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.455 ' HA ' HD22 ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.657 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1743 ' ' LEU . . . . . 0.441 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.875 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.658 ' HB2' HD13 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.723 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.529 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp -84.41 -13.76 51.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 39.6 t -68.14 91.86 0.38 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.306 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.626 ' N ' ' HD2' ' A' 1756 ' ' PRO . 72.8 m80 -54.42 -44.28 98.68 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.663 0.986 . . . . 1.0 113.663 -172.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' 1755 ' ' HIS . 2.0 Cg_endo -45.53 -52.24 6.98 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.669 2.246 . . . . 1.0 112.893 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -82.88 -43.95 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.772 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.401 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 17.7 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.658 HD13 ' HB2' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1764 ' ' GLN . . . . . 0.481 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.3 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.538 ' HA ' HD12 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.526 HD12 ' HB1' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.531 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.711 HD12 HD21 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.811 HD23 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.637 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.786 ' HA ' ' HB3' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.442 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.786 ' HB3' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1790 ' ' ALA . . . . . 0.459 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.713 ' HB ' ' HB2' ' A' 1789 ' ' ALA . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.442 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.535 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.485 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.535 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.8 HG21 HG21 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.735 ' HB3' HD11 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.402 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.526 ' HB1' HD12 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.758 HG12 HG13 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.631 HD22 HG23 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.44 HG21 HD22 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.687 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.7 OUTLIER -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 25.0 pt -116.15 -164.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.457 -0.201 . . . . 1.0 110.457 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 123.04 85.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1652 ' ' PRO . . . . . 0.535 ' O ' ' HG2' ' A' 1658 ' ' GLN . 23.8 Cg_exo -63.61 151.74 83.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.484 2.122 . . . . 1.0 111.553 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.536 ' CE2' ' HA ' ' A' 1781 ' ' GLU . 62.0 m-85 57.23 -118.46 1.13 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.336 0.398 . . . . 1.0 109.939 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1654 ' ' THR . . . . . 0.426 HG23 ' O ' ' A' 1654 ' ' THR . 9.4 t -177.94 91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.541 0.686 . . . . 1.0 112.194 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.458 ' HB2' ' OE1' ' A' 1658 ' ' GLN . . . 178.83 162.27 0.69 Allowed Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.283 176.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.71 108.7 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.75 2.3 . . . . 1.0 111.564 170.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.535 ' HG2' ' O ' ' A' 1652 ' ' PRO . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1661 ' ' CYS . . . . . 0.534 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1665 ' ' ILE . . . . . 0.472 HG21 HD13 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1668 ' ' LEU . . . . . 0.771 HD13 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.771 ' SG ' HD13 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1672 ' ' LEU . . . . . 0.5 HD13 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.668 ' HG ' HG22 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.59 ' HA ' HD22 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1680 ' ' LEU . . . . . 0.403 ' O ' HG13 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1682 ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.403 HG13 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.476 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1689 ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.641 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1691 ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.443 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.581 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG22 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.622 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.573 HD22 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.622 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.595 ' O ' HG21 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.651 HD22 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1704 ' ' THR . . . . . 0.405 ' HA ' HE21 ' A' 1707 ' ' GLN . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.547 ' HB2' HD22 ' A' 1741 ' ' LEU . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.745 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' 1703 ' ' LEU . 48.6 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.753 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.614 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.68 HD12 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.852 HG22 HG21 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1714 ' ' GLU . . . . . 0.444 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1715 ' ' PRO . . . . . 0.448 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.738 HD22 HD11 ' A' 1775 ' ' LEU . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1720 ' ' ALA . . . . . 0.618 ' HB1' HD22 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.482 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1727 ' ' LEU . . . . . 0.562 HD11 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.518 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1731 ' ' VAL . . . . . 0.479 HG11 HD23 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.685 ' HE2' HG12 ' A' 1713 ' ' ILE . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.582 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.547 HD22 ' HB2' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.697 ' O ' HG22 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.539 ' HB2' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1745 ' ' ALA . . . . . 0.452 ' HB3' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.641 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.593 ' HB1' HD13 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1750 ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.469 HG21 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1753 ' ' LEU . . . . . 0.509 HD21 ' O ' ' A' 1753 ' ' LEU . 5.1 tt -72.98 -31.73 64.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 14.9 m -64.68 95.77 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.464 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.608 ' N ' ' HD2' ' A' 1756 ' ' PRO . 93.1 m-70 -59.86 -47.6 96.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 -170.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' 1755 ' ' HIS . 3.3 Cg_endo -46.14 -45.73 17.59 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.715 2.277 . . . . 1.0 113.043 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1757 ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' 1756 ' ' PRO . 2.4 mp0 -86.73 -41.58 14.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.596 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1759 ' ' MET . . . . . 0.4 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.593 HD13 ' HB1' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.452 ' OG1' ' HE3' ' A' 1702 ' ' MET . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.56 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.481 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.618 ' HB1' ' HE3' ' A' 1803 ' ' MET . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1773 ' ' LEU . . . . . 0.588 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.738 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1776 ' ' LEU . . . . . 0.479 HD23 HG11 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1777 ' ' TYR . . . . . 0.588 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.534 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.536 ' HA ' ' CE2' ' A' 1653 ' ' PHE . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.53 ' HB2' HG23 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1783 ' ' GLY . . . . . 0.491 ' CA ' HD23 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.645 HD22 ' HB3' ' A' 1788 ' ' GLN . 29.9 t30 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.613 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.645 ' HB3' HD22 ' A' 1785 ' ' ASN . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1790 ' ' ALA . . . . . 0.457 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1791 ' ' HIS . . . . . 0.483 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.53 HG23 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1794 ' ' GLU . . . . . 0.483 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.545 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1796 ' ' LEU . . . . . 0.618 HD22 ' HB1' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.431 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.545 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.852 HG21 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1802 ' ' MET . . . . . 0.403 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.752 ' HB3' HD12 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1805 ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.45 ' HB3' HD12 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.745 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1808 ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' 1814 ' ' LEU . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.651 HG23 HD22 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.486 HD21 HD21 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.43 HD22 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' 1821 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.812 -0.515 . . . . 1.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 5.7 tp -110.03 88.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.854 0.835 . . . . 1.0 110.072 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1651 ' ' ASP . . . . . 0.405 ' OD1' ' NZ ' ' A' 1780 ' ' LYS . 27.3 t70 -116.39 117.67 38.26 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.35 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.72 -169.64 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.795 2.33 . . . . 1.0 112.153 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1653 ' ' PHE . . . . . 0.571 ' HA ' HE22 ' A' 1788 ' ' GLN . 16.4 m-85 65.98 -172.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.748 -0.464 . . . . 1.0 109.748 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.6 t -156.48 99.53 1.9 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.058 0.456 . . . . 1.0 111.806 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1655 ' ' ALA . . . . . 0.436 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 176.65 159.82 0.47 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.173 -0.921 . . . . 1.0 109.779 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1656 ' ' PRO . . . . . 0.404 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo -76.18 116.2 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.604 2.203 . . . . 1.0 111.406 170.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1658 ' ' GLN . . . . . 0.518 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1660 ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1662 ' ' GLU . . . . . 0.602 ' HB2' ' HZ2' ' A' 1780 ' ' LYS . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1669 ' ' ASN . . . . . 0.572 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1671 ' ' CYS . . . . . 0.609 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1673 ' ' ARG . . . . . 0.572 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1675 ' ' LEU . . . . . 0.658 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1678 ' ' ALA . . . . . 0.421 ' CB ' HG12 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1679 ' ' SER . . . . . 0.492 ' O ' HG22 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1681 ' ' ALA . . . . . 0.539 ' HB1' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1682 ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1683 ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1687 ' ' LEU . . . . . 0.539 HD23 ' HB1' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1688 ' ' ALA . . . . . 0.475 ' O ' HD11 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1690 ' ' ARG . . . . . 0.868 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1692 ' ' GLY . . . . . 0.868 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1693 ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1695 ' ' GLN . . . . . 0.462 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1696 ' ' GLU . . . . . 0.712 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1698 ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1699 ' ' HIS . . . . . 0.712 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1702 ' ' MET . . . . . 0.531 ' O ' HG22 ' A' 1706 ' ' VAL . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1703 ' ' LEU . . . . . 0.732 HD21 HD22 ' A' 1815 ' ' ASN . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1706 ' ' VAL . . . . . 0.77 HG12 HG12 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1707 ' ' GLN . . . . . 0.449 ' NE2' ' HG ' ' A' 1703 ' ' LEU . 47.8 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1709 ' ' ILE . . . . . 0.74 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1710 ' ' SER . . . . . 0.454 ' HB2' HG13 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1712 ' ' LEU . . . . . 0.872 HD13 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1713 ' ' ILE . . . . . 0.808 HG22 HG21 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1716 ' ' LEU . . . . . 0.797 HD21 HD12 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1719 ' ' ALA . . . . . 0.643 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1723 ' ' GLU . . . . . 0.643 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1724 ' ' ALA . . . . . 0.471 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1726 ' ' GLN . . . . . 0.456 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1730 ' ' LYS . . . . . 0.553 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1733 ' ' GLN . . . . . 0.684 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1734 ' ' MET . . . . . 0.872 ' HB2' HD13 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1736 ' ' GLN . . . . . 0.684 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1737 ' ' TYR . . . . . 0.444 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1738 ' ' PHE . . . . . 0.551 ' CE1' HD12 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1739 ' ' GLU . . . . . 0.455 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1740 ' ' PRO . . . . . 0.455 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1742 ' ' THR . . . . . 0.658 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1744 ' ' ALA . . . . . 0.479 ' HB2' ' SD ' ' A' 1702 ' ' MET . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1745 ' ' ALA . . . . . 0.402 ' HB2' ' HE2' ' A' 1702 ' ' MET . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1746 ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1747 ' ' GLY . . . . . 0.559 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1748 ' ' ALA . . . . . 0.45 ' HB1' HD12 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1749 ' ' ALA . . . . . 0.705 ' HB1' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1751 ' ' LYS . . . . . 0.503 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1752 ' ' THR . . . . . 0.621 HG22 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp -98.72 -16.27 19.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.3 p -89.56 101.05 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 1.0 109.616 174.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1755 ' ' HIS . . . . . 0.607 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 19.3 t-80 -55.73 -50.68 85.66 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 115.296 -0.866 . . . . 1.0 112.566 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1756 ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' A' 1755 ' ' HIS . 17.6 Cg_endo -57.08 -42.76 60.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.17 1.913 . . . . 1.0 112.777 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -62.23 -51.22 68.64 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1758 ' ' GLN . . . . . 0.607 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.8 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1761 ' ' LEU . . . . . 0.454 HD11 ' HE3' ' A' 1702 ' ' MET . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1762 ' ' LEU . . . . . 0.705 HD22 ' HB1' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1766 ' ' LYS . . . . . 0.557 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1768 ' ' LEU . . . . . 0.432 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1772 ' ' ALA . . . . . 0.586 ' HB2' ' HE1' ' A' 1803 ' ' MET . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1775 ' ' LEU . . . . . 0.797 HD12 HD21 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1780 ' ' LYS . . . . . 0.602 ' HZ2' ' HB2' ' A' 1662 ' ' GLU . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1784 ' ' GLY . . . . . 0.471 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1785 ' ' ASN . . . . . 0.425 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1786 ' ' PRO . . . . . 0.511 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1788 ' ' GLN . . . . . 0.571 HE22 ' HA ' ' A' 1653 ' ' PHE . 26.8 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.763 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1792 ' ' THR . . . . . 0.763 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1793 ' ' GLN . . . . . 0.511 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1795 ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1797 ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1798 ' ' GLU . . . . . 0.496 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1800 ' ' VAL . . . . . 0.808 HG21 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1803 ' ' MET . . . . . 0.803 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1804 ' ' THR . . . . . 0.471 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1807 ' ' VAL . . . . . 0.77 HG12 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1810 ' ' LEU . . . . . 0.499 HD21 HG23 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1811 ' ' THR . . . . . 0.635 HG22 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1812 ' ' THR . . . . . 0.542 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1814 ' ' LEU . . . . . 0.415 HD22 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1815 ' ' ASN . . . . . 0.732 HD22 HD21 ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1816 ' ' GLU . . . . . 0.542 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1817 ' ' ALA . . . . . 0.506 ' HA ' ' HB2' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1820 ' ' ALA . . . . . 0.506 ' HB2' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1821 ' ' ALA . . . . . 0.621 ' HB1' HG22 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 16.0 Cg_exo . . . . . 0 N--CA 1.458 -0.563 0 N-CA-C 110.376 -0.663 . . . . 1.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.804 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.697 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.697 ' SG ' HD12 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.708 ' HG ' HG23 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1690 ' ' ARG . . . . . 1.001 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.547 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1701 ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.575 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.621 HG12 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.725 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.407 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.843 HD22 HD11 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.733 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.608 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.733 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.491 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.849 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.4 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.708 HG23 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1747 ' ' GLY . . . . . 1.001 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.681 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.497 ' CB ' HD22 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.644 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.537 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 12.8 mm-40 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.027 0.441 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.442 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.528 ' OE1' ' HA ' ' A' 1810 ' ' LEU . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.594 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.843 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.804 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' 1792 ' ' THR . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.823 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.823 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.66 HG23 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.621 HG13 HG12 ' A' 1706 ' ' VAL . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.528 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.402 HG23 ' OE1' ' A' 1757 ' ' GLN . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1815 ' ' ASN . . . . . 0.437 ' HA ' ' NE2' ' A' 1699 ' ' HIS . 8.2 m-20 -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 N-CA-C 111.419 -0.262 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.521 ' HA ' HG11 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.779 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1667 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1670 ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.606 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.44 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.691 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.54 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.986 HD12 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.535 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.592 ' O ' HG23 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.697 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.865 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 93.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1708 ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' 1711 ' ' HIS . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.698 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.47 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1711 ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' 1708 ' ' GLU . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.455 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.455 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.855 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.437 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.578 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.466 ' O ' ' HE2' ' A' 1730 ' ' LYS . 73.1 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.662 HG13 HD22 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.855 ' HE3' HD13 ' A' 1716 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 2.2 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.751 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.777 HG12 HD11 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.664 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.539 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.986 ' HB2' HD12 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1749 ' ' ALA . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.606 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.455 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.581 ' HA ' HD23 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.742 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.662 HD22 HG13 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' 1792 ' ' THR . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1785 ' ' ASN . 85.4 mm-40 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.784 HG21 ' HB2' ' A' 1781 ' ' GLU . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' 1801 ' ' GLN . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.679 HG23 HG22 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 1797 ' ' GLU . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.865 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.54 HD23 HG21 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.697 HG23 HD23 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.457 HD23 HD22 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.962 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 CA--C 1.519 -0.254 0 N-CA-C 111.449 -0.25 . . . . 1.0 111.449 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.779 ' HA ' HG11 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.461 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.485 HD12 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.722 ' HG ' HG23 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1686 ' ' GLN . . . . . 0.443 ' HB2' ' HB1' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.778 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.778 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.471 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.47 HD23 HD13 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.518 HD23 HG23 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.757 HG12 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.7 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.867 HG22 HG23 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.45 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.45 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.826 HD13 ' HE3' ' A' 1734 ' ' MET . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1717 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.459 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.779 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.867 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.409 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.409 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.722 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.634 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.499 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.494 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.431 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.737 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.676 HD22 HG13 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.916 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1790 ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.916 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.719 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1794 ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.867 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.719 ' HB3' HD13 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.757 HG13 HG12 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.435 HD23 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.518 HG23 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1818 ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.956 0.315 . . . . 1.0 112.638 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.562 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1664 ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.412 HG21 HD21 ' A' 1698 ' ' LEU . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.474 HD11 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.591 ' O ' HG23 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.45 HD23 HG23 ' A' 1811 ' ' THR . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.853 HG12 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 1703 ' ' LEU . 52.8 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.68 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.812 HG22 HG23 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.659 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.511 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.752 HG11 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1732 ' ' SER . . . . . 0.669 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1735 ' ' ALA . . . . . 0.445 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' 1732 ' ' SER . 92.9 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.418 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.68 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.582 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.633 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.61 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.616 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' 1820 ' ' ALA . 33.6 tt0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 0.0 OUTLIER -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' 1760 ' ' ALA . 66.0 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.408 ' HA ' HD13 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.813 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.661 HD22 HG13 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.511 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.812 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.853 HG13 HG12 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.475 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.45 HG23 HD23 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' 1757 ' ' GLN . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.596 ' O ' ' HB1' ' A' 1724 ' ' ALA . 13.0 Cg_exo . . . . . 0 C--O 1.229 0.063 0 N-CA-C 111.298 -0.308 . . . . 1.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1667 ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1670 ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.797 ' HG ' HG23 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1677 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1673 ' ' ARG . 84.5 mm-40 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.475 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.403 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.445 HD11 ' HB1' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.839 HG12 HG13 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.72 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' 1713 ' ' ILE . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.895 HG22 HG23 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.542 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.542 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1718 ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' 1721 ' ' ARG . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.488 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 1718 ' ' SER . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.488 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.474 HG13 HD22 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.904 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.48 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.797 HG23 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' 1694 ' ' SER . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.457 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.547 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.793 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.474 HD22 HG13 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.504 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.651 HD22 ' H ' ' A' 1788 ' ' GLN . 2.1 t-20 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.651 ' H ' HD22 ' A' 1785 ' ' ASN . 89.3 mm-40 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.685 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.685 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 1789 ' ' ALA . 23.5 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.895 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.716 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.839 HG13 HG12 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.642 HD23 HG21 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.631 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' 1702 ' ' MET . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.873 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.4 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 N-CA-C 111.091 -0.388 . . . . 1.0 111.091 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.665 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.665 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.793 HD12 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1677 ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.416 ' HB2' HD11 ' A' 1687 ' ' LEU . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.631 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.565 HH21 ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.584 HD11 ' HB1' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.58 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.584 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.409 HD21 HG21 ' A' 1693 ' ' ILE . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.604 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.587 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.594 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.859 HG12 HG13 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.675 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' 1713 ' ' ILE . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.885 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.839 HG22 HG23 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.486 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1716 ' ' LEU . . . . . 1.008 HD13 ' HE3' ' A' 1734 ' ' MET . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.629 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.913 HG13 HD22 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1734 ' ' MET . . . . . 1.008 ' HE3' HD13 ' A' 1716 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.4 ' HB2' HG12 ' A' 1709 ' ' ILE . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.497 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.573 HD11 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.82 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.478 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' 1694 ' ' SER . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.58 ' OE1' HG23 ' A' 1813 ' ' THR . 10.3 mm-40 . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 111.941 0.348 . . . . 1.0 111.941 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.445 HG23 HD22 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.544 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.477 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.764 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.913 HD22 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.589 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.505 ' OE1' ' HG3' ' A' 1787 ' ' LYS . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' 1797 ' ' GLU . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.687 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 1793 ' ' GLN . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.687 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.839 HG23 HG22 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.789 ' HB3' HD13 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.46 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.859 HG13 HG12 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.524 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.587 HG23 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 110.793 -0.503 . . . . 1.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.791 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.617 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.83 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.542 HD21 HG13 ' A' 1746 ' ' VAL . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.47 ' HA ' ' OG ' ' A' 1750 ' ' SER . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.569 ' HG2' ' HD2' ' A' 1751 ' ' LYS . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.567 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.418 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.56 ' HE2' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.582 ' HA ' HG12 ' A' 1706 ' ' VAL . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.603 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.707 ' HB2' HG11 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.909 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1718 ' ' SER . . . . . 0.503 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.503 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.68 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.791 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1732 ' ' SER . . . . . 0.643 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.909 ' HE3' HD13 ' A' 1716 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 1732 ' ' SER . 87.6 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.457 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.705 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.73 HG23 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.467 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.569 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.523 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' 1821 ' ' ALA . 4.9 tp-100 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.732 0.301 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.669 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1759 ' ' MET . . . . . 0.541 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.705 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1668 ' ' LEU . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.734 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.727 HD22 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1799 ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1797 ' ' GLU . 2.8 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.41 ' CG ' HE22 ' A' 1764 ' ' GLN . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.42 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.482 HG23 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.56 HD21 ' HE2' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' 1757 ' ' GLN . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.557 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.9 Cg_exo . . . . . 0 N--CA 1.465 -0.167 0 N-CA-C 110.844 -0.483 . . . . 1.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.595 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.757 ' HG ' HG23 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1677 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1673 ' ' ARG . 12.8 mm-40 -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.62 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.638 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.519 HG22 ' HE ' ' A' 1690 ' ' ARG . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.661 HD21 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' 1696 ' ' GLU . 10.3 t60 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.545 ' O ' HG23 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.765 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.769 HG22 HG23 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' 1714 ' ' GLU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.808 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.739 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.689 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.45 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.595 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.808 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.757 HG23 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.474 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.59 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.647 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.497 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 30.0 mm-40 . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.608 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.566 HD11 HD22 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.566 HD22 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.417 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.689 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.563 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1794 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.567 ' HA ' HG12 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.769 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.595 ' O ' HG23 ' A' 1807 ' ' VAL . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1814 ' ' LEU . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1816 ' ' GLU . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1810 ' ' LEU . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' 1812 ' ' THR . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo . . . . . 0 CA--C 1.526 0.08 0 N-CA-C 111.384 -0.275 . . . . 1.0 111.384 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.436 HE22 ' HB3' ' A' 1785 ' ' ASN . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.666 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1664 ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.625 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.745 ' HG ' HG23 ' A' 1742 ' ' THR . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.709 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.709 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' 1687 ' ' LEU . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.474 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.517 HD13 HD23 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.517 HD23 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 57.3 t60 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.607 ' O ' HG23 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.577 HD23 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1704 ' ' THR . . . . . 0.523 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.556 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.804 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.523 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.707 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.898 HG22 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.408 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.97 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.513 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' 1733 ' ' GLN . 16.1 t-80 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.691 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.97 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1735 ' ' ALA . . . . . 0.474 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.484 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.612 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.745 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.674 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.587 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.673 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.691 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.583 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.583 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.569 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.715 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.715 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.827 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.827 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.898 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.672 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.573 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.804 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.495 HD23 HG21 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.577 HG23 HD23 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.412 HD21 ' HE3' ' A' 1702 ' ' MET . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1815 ' ' ASN . . . . . 0.414 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 4.5 m-20 -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.609 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.961 0.317 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.742 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.807 ' HG ' HG23 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.672 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' 1698 ' ' LEU . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.44 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 30.2 t60 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.511 ' O ' HG12 ' A' 1706 ' ' VAL . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1704 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.743 HG22 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 85.6 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1708 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.671 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.807 HG22 HG23 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1716 ' ' LEU . . . . . 1.035 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1717 ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.422 ' CB ' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.627 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.767 HG13 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.705 ' O ' ' HG2' ' A' 1736 ' ' GLN . 56.2 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1734 ' ' MET . . . . . 1.035 ' HE3' HD13 ' A' 1716 ' ' LEU . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.449 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.807 HG23 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.732 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.732 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.561 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.767 HD22 HG13 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1779 ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.567 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.581 ' OD1' ' HB2' ' A' 1788 ' ' GLN . 2.6 t-20 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.581 ' HB2' ' OD1' ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.807 HG23 HG22 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.702 ' HB3' HD13 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.425 HG22 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.743 HG13 HG22 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.403 HG23 HD23 ' A' 1703 ' ' LEU . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.456 ' HB1' HG23 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.525 ' O ' ' HB1' ' A' 1724 ' ' ALA . 2.8 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.683 0.201 . . . . 1.0 112.171 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 1780 ' ' LYS . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.681 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.484 HG23 HD11 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.62 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.766 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.738 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.515 ' O ' HD13 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.756 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.849 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.849 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.566 ' O ' HG23 ' A' 1706 ' ' VAL . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.604 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.585 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.826 HG12 HG13 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' 1703 ' ' LEU . 41.3 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.739 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.821 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.875 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.815 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.495 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.723 HG13 HD22 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.692 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.821 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' 1733 ' ' GLN . 2.1 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.521 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.64 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.442 HG23 ' HB1' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 0.6 OUTLIER -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.766 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.804 HD11 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.723 HD22 HG13 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1778 ' ' THR . . . . . 0.573 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1779 ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.807 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1791 ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.807 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1794 ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.875 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' 1797 ' ' GLU . 15.9 mm100 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.736 ' HB3' HD13 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.826 HG13 HG12 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1808 ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.604 HG23 HD23 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1815 ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 6.3 m-20 -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1817 ' ' ALA . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.592 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo . . . . . 0 N--CA 1.461 -0.417 0 N-CA-C 111.233 -0.333 . . . . 1.0 111.233 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.807 ' HA ' HG11 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1664 ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.453 HG23 HD11 ' A' 1773 ' ' LEU . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.544 HD11 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.589 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' 1687 ' ' LEU . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.464 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.464 ' H ' ' HD3' ' A' 1690 ' ' ARG . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.679 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.748 HG12 HG13 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' 1703 ' ' LEU . 52.7 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.734 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.744 ' HB2' HG11 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.859 HG22 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1716 ' ' LEU . . . . . 1.034 HD13 ' HE3' ' A' 1734 ' ' MET . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1722 ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.697 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' 1720 ' ' ALA . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' 1736 ' ' GLN . 97.8 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1734 ' ' MET . . . . . 1.034 ' HE3' HD13 ' A' 1716 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1735 ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.9 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.403 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' 1736 ' ' GLN . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.739 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.535 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.595 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.62 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.276 0.56 . . . . 1.0 109.952 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.472 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1759 ' ' MET . . . . . 0.472 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.595 HD22 ' HB2' ' A' 1749 ' ' ALA . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.403 HG22 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.544 ' HG3' HD11 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.816 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.785 HD22 HG13 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.463 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.572 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.618 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1783 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.697 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.837 HD21 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB2' HD21 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.859 HG23 HG22 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.773 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.748 HG13 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.62 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1815 ' ' ASN . . . . . 0.679 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 5.3 m-20 -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1822 ' ' GLY . . . . . 0.521 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' 1724 ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.466 -0.115 0 CA-C-O 120.829 0.262 . . . . 1.0 111.799 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' 1780 ' ' LYS . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1659 ' ' LEU . . . . . 0.478 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.731 ' HA ' HG11 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1664 ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' 1665 ' ' ILE . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.576 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.729 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1676 ' ' ASP . . . . . 0.541 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.819 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.819 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.55 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.502 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.544 HD11 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1701 ' ' GLN . . . . . 0.588 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.567 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.471 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1704 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.675 HG12 HG13 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1708 ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.678 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' 1713 ' ' ILE . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.436 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1718 ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.743 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' 1730 ' ' LYS . 66.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.431 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.738 HG13 HD22 ' A' 1776 ' ' LEU . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.831 ' HB2' HD11 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1735 ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.482 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.588 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.584 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.688 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1757 ' ' GLN . . . . . 0.529 HE21 ' CB ' ' A' 1820 ' ' ALA . 11.5 mm-40 . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.678 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1749 ' ' ALA . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.541 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.552 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.456 ' CG ' HD11 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.507 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.649 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.738 HD22 HG13 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' 1658 ' ' GLN . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.699 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1783 ' ' GLY . . . . . 0.431 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.512 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.6 tp60 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.642 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.699 HG22 ' HB2' ' A' 1782 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.575 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.579 ' HA ' HG12 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.762 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.675 HG13 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1814 ' ' LEU . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.471 HG23 HD23 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.407 HG23 ' OE1' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.529 ' CB ' HE21 ' A' 1757 ' ' GLN . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1822 ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' 1724 ' ' ALA . 14.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 N-CA-C 113.434 0.513 . . . . 1.0 113.434 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1657 ' ' GLY . . . . . 0.55 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 1780 ' ' LYS . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.543 HG23 HD11 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.746 HD12 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.746 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.728 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1684 ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1686 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.615 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.591 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.615 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.58 ' O ' HG23 ' A' 1706 ' ' VAL . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.696 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.849 HG12 HG13 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.759 ' HB2' HG11 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' 1803 ' ' MET . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1717 ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1718 ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.516 ' HB2' HD13 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1722 ' ' ALA . . . . . 0.429 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.446 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' 1730 ' ' LYS . 19.0 mm-40 -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.55 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.632 HG13 HD22 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.728 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.585 ' HA ' HH11 ' A' 1690 ' ' ARG . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.571 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.879 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.537 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1772 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.543 HD11 HG23 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.596 HD11 HD22 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.632 HD22 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.489 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.87 ' HB2' HD21 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1791 ' ' HIS . . . . . 0.405 ' HA ' ' OE1' ' A' 1794 ' ' GLU . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.805 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1794 ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' 1791 ' ' HIS . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1799 ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.409 HG22 ' O ' ' A' 1801 ' ' GLN . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.849 HG13 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.51 HD23 HG21 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.696 HG23 HD23 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.439 HD23 HD22 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.822 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1818 ' ' ALA . . . . . 0.459 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.473 0.321 0 CA-C-O 120.877 0.282 . . . . 1.0 112.699 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 1780 ' ' LYS . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG11 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.42 HG23 HD11 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1667 ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.767 HD12 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1670 ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' 1667 ' ' ALA . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.767 ' SG ' HD12 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.713 ' HG ' HG23 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.458 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1684 ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' 1686 ' ' GLN . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1686 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 1684 ' ' SER . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.424 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.637 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.588 HD23 HG23 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.767 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.679 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.519 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.7 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.597 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.813 ' HE3' HD13 ' A' 1716 ' ' LEU . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.545 ' CE1' HD13 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.727 ' O ' HG23 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.455 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.532 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.688 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.689 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.577 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.42 HD11 HG23 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.805 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.707 HD22 HG13 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.872 HD21 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.872 ' HB3' HD21 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.831 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.831 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.577 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.7 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.767 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.44 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.588 HG23 HD23 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.703 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1822 ' ' GLY . . . . . 0.637 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo . . . . . 0 CA--C 1.529 0.23 0 N-CA-C 111.486 -0.236 . . . . 1.0 111.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.794 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.589 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.715 ' HG ' HG23 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.441 HD21 HG13 ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.727 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.483 HG21 HD21 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' 1698 ' ' LEU . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.44 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.44 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.516 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.725 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.728 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' 1713 ' ' ILE . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.45 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.778 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.648 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.671 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.416 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' 1727 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1729 ' ' HIS . 98.8 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.897 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.715 HG23 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.727 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 1742 ' ' THR . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.695 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.718 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.625 0.25 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' 1745 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.707 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.624 HD22 HG13 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1779 ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' 1792 ' ' THR . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.457 ' OD1' ' HB2' ' A' 1788 ' ' GLN . 20.7 t-20 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.437 ' HB3' ' OE1' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.457 ' HB2' ' OD1' ' A' 1785 ' ' ASN . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.9 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.9 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' 1786 ' ' PRO . 41.0 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1801 ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.692 ' HB3' HD13 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.444 HG22 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.728 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.725 HG23 HD23 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.226 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.751 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.562 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1676 ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.407 ' CD1' ' HD3' ' A' 1751 ' ' LYS . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1701 ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.572 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.735 HD23 HG23 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.807 HG12 HG13 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.657 ' HB2' HG11 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.838 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1717 ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.448 ' HB3' HD23 ' A' 1796 ' ' LEU . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.744 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.822 HG13 HD22 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.838 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.477 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.517 HD11 HG22 ' A' 1706 ' ' VAL . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.445 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.396 0.141 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.674 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.498 HG23 HD22 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.815 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.822 HD22 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1783 ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.475 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.765 ' HB3' HD13 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.807 HG13 HG12 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.447 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.735 HG23 HD23 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.423 HD23 HD22 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 N--CA 1.462 -0.377 0 CA-C-O 120.934 0.306 . . . . 1.0 111.446 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.748 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.509 ' CB ' ' HB1' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.891 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.638 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.56 ' HA ' HD12 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1697 ' ' ALA . . . . . 0.638 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.499 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 32.4 t-80 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.59 ' O ' HG23 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.502 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1704 ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.774 HG12 HG13 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1708 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.672 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.818 HG22 HG23 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.454 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.781 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.624 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.424 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.834 HG13 HD22 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.812 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.423 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.46 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.891 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.509 ' HB1' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.498 0.19 . . . . 1.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 3.2 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.402 HD11 HG23 ' A' 1665 ' ' ILE . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.718 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.834 HD22 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.73 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.797 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.406 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.469 ' HA ' HE21 ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.797 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1790 ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' 1781 ' ' GLU . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.55 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.818 HG23 HG22 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.717 ' HB3' HD13 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.5 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.774 HG13 HG12 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.653 HD23 HG21 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.502 HG23 HD23 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1815 ' ' ASN . . . . . 0.499 ' HA ' ' NE2' ' A' 1699 ' ' HIS . 3.7 m-20 -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.3 Cg_exo . . . . . 0 N--CA 1.462 -0.372 0 N-CA-C 111.564 -0.206 . . . . 1.0 111.564 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.561 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.488 HG23 HD11 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.783 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.534 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.584 ' HA ' HD21 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.712 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.508 HD21 HG13 ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.496 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.676 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.596 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.626 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.587 HD21 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.626 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.606 ' O ' HG23 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.702 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 1709 ' ' ILE . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.763 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1703 ' ' LEU . 53.3 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.765 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.618 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.793 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.894 HG22 HG23 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.878 HD13 ' HE3' ' A' 1734 ' ' MET . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1720 ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.518 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.502 HG13 HD22 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.878 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.712 ' O ' HG23 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.449 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.712 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.46 HG23 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1753 ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' 1753 ' ' LEU . 5.1 tt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.425 ' OE1' ' HG3' ' A' 1759 ' ' MET . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1759 ' ' MET . . . . . 0.425 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.484 ' HG ' ' CE2' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.502 HD22 HG13 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1777 ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.561 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.413 ' HG2' HG21 ' A' 1792 ' ' THR . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1782 ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1783 ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.426 ' ND2' ' HE2' ' A' 1787 ' ' LYS . 2.6 t-20 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.6 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.6 ' H ' ' HG2' ' A' 1787 ' ' LYS . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1790 ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1791 ' ' HIS . . . . . 0.486 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1794 ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1796 ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.894 HG23 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.738 ' HB3' HD13 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1805 ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.763 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1808 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.489 HD21 ' HE1' ' A' 1702 ' ' MET . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.702 HG23 HD23 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' 1816 ' ' GLU . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 1812 ' ' THR . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1656 ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 N-CA-C 111.406 -0.267 . . . . 1.0 111.406 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1660 ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.58 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.784 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.546 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1682 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.92 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.92 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.556 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1696 ' ' GLU . . . . . 0.716 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1699 ' ' HIS . . . . . 0.716 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.707 ' HE3' HD21 ' A' 1814 ' ' LEU . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1703 ' ' LEU . . . . . 0.669 HD13 HG23 ' A' 1811 ' ' THR . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1707 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 1703 ' ' LEU . 58.6 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.752 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.462 ' HB2' HG11 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.827 HG22 HG23 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.406 ' N ' ' HD2' ' A' 1715 ' ' PRO . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.409 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.812 HD22 HD11 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.566 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.414 HG13 HD22 ' A' 1776 ' ' LEU . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.69 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.895 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1737 ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.452 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.614 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.784 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.563 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.47 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.811 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1751 ' ' LYS . . . . . 0.509 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1752 ' ' THR . . . . . 0.59 HG23 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1758 ' ' GLN . . . . . 0.495 ' HB3' ' HB ' ' A' 1752 ' ' THR . 12.3 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.614 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.812 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1776 ' ' LEU . . . . . 0.414 HD22 HG13 ' A' 1731 ' ' VAL . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1785 ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1786 ' ' PRO . . . . . 0.513 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1788 ' ' GLN . . . . . 0.447 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.8 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.78 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.78 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.827 HG23 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.743 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1804 ' ' THR . . . . . 0.476 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1809 ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.517 HD23 HG21 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.669 HG23 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.707 HD21 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1821 ' ' ALA . . . . . 0.59 ' HB1' HG23 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.15 -0.38 . . . . 1.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.461 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.2 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.603 -0.351 . . . . 1.0 110.092 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.95 98.19 14.87 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.992 0.425 . . . . 1.0 110.187 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' 1650 ' ' ILE . 95.8 Cg_endo -90.44 -0.5 5.3 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.717 2.278 . . . . 1.0 111.785 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.615 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.5 m-85 -102.18 -90.68 0.35 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.141 -0.457 . . . . 1.0 111.062 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.3 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.316 0.858 . . . . 1.0 113.316 -175.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.17 159.85 31.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.814 -0.755 . . . . 1.0 112.234 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 16.0 Cg_exo -68.9 144.89 60.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.512 2.142 . . . . 1.0 110.376 166.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.483 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.804 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.697 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.697 ' SG ' HD12 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.708 ' HG ' HG23 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1690 ' ' ARG . . . . . 1.001 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.547 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1701 ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.575 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.621 HG12 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.725 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.407 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.843 HD22 HD11 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.733 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.608 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.733 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.491 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.849 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.4 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.708 HG23 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1747 ' ' GLY . . . . . 1.001 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.681 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.497 ' CB ' HD22 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.644 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp -114.89 26.03 10.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 11.2 m -81.63 -64.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.44 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.524 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 55.6 m80 -146.2 172.51 5.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 60.0 Cg_exo -54.2 -10.37 2.02 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.881 2.387 . . . . 1.0 112.923 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.537 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 12.8 mm-40 -48.63 -36.53 16.05 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 1.0 110.994 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.442 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.528 ' OE1' ' HA ' ' A' 1810 ' ' LEU . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.594 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 62.8 tp60 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.843 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.804 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' 1792 ' ' THR . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.823 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.823 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.66 HG23 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.621 HG13 HG12 ' A' 1706 ' ' VAL . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.528 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.402 HG23 ' OE1' ' A' 1757 ' ' GLN . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.437 ' HA ' ' NE2' ' A' 1699 ' ' HIS . 8.2 m-20 -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.199 -0.36 . . . . 1.0 112.199 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 42.2 pt -114.35 159.48 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' 1652 ' ' PRO . 40.3 m-20 -84.81 114.48 55.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.478 ' HG2' ' HE3' ' A' 1780 ' ' LYS . 8.1 Cg_exo -71.29 -22.31 25.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.559 2.173 . . . . 1.0 111.137 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' 1658 ' ' GLN . 93.6 m-85 -128.39 145.18 51.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.4 t -85.3 95.59 9.26 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.445 0.64 . . . . 1.0 112.201 -172.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.46 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -175.28 159.57 2.17 Favored Pre-proline 0 C--O 1.237 0.415 0 CA-C-N 115.039 -0.982 . . . . 1.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.1 109.52 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.8 2.333 . . . . 1.0 111.419 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' 1653 ' ' PHE . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.521 ' HA ' HG11 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.779 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1667 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1670 ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.606 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.44 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.691 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.54 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.986 HD12 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.535 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.592 ' O ' HG23 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.697 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.865 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 93.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1708 ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' 1711 ' ' HIS . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.698 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.47 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1711 ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' 1708 ' ' GLU . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.455 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.455 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.855 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.437 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.578 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.466 ' O ' ' HE2' ' A' 1730 ' ' LYS . 73.1 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.662 HG13 HD22 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.855 ' HE3' HD13 ' A' 1716 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 2.2 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.751 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.777 HG12 HD11 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.664 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.539 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.986 ' HB2' HD12 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.2 -24.94 60.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 4.1 m -68.51 89.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.835 175.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.439 ' N ' ' HD2' ' A' 1756 ' ' PRO . 79.2 m80 -54.13 -54.61 45.57 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' 1755 ' ' HIS . 27.7 Cg_endo -62.43 -19.33 67.08 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.976 1.784 . . . . 1.0 113.187 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -96.06 -39.91 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1749 ' ' ALA . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.606 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.455 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.581 ' HA ' HD23 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 62.6 tp60 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.742 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.662 HD22 HG13 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' 1792 ' ' THR . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1785 ' ' ASN . 85.4 mm-40 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.784 HG21 ' HB2' ' A' 1781 ' ' GLU . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' 1801 ' ' GLN . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.679 HG23 HG22 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 1797 ' ' GLU . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.865 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.54 HD23 HG21 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.697 HG23 HD23 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.457 HD23 HD22 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.962 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 112.297 -0.321 . . . . 1.0 112.297 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.89 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.31 -156.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.154 -0.313 . . . . 1.0 110.154 178.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -81.98 108.82 12.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.277 0.56 . . . . 1.0 110.004 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.721 ' HB2' ' HG3' ' A' 1788 ' ' GLN . 64.4 Cg_endo -95.17 9.53 1.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.187 2.591 . . . . 1.0 112.258 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.696 ' HB2' ' HG3' ' A' 1658 ' ' GLN . 41.6 p90 -108.99 146.74 33.39 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.662 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 19.6 m -158.09 91.87 1.14 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.351 -0.841 . . . . 1.0 109.289 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -168.64 151.93 5.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.86 107.21 0.51 Allowed 'Trans proline' 0 CA--C 1.519 -0.254 0 C-N-CA 123.091 2.527 . . . . 1.0 111.449 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.696 ' HG3' ' HB2' ' A' 1653 ' ' PHE . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.779 ' HA ' HG11 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.461 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.485 HD12 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.722 ' HG ' HG23 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1686 ' ' GLN . . . . . 0.443 ' HB2' ' HB1' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.778 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.778 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.471 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.47 HD23 HD13 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.518 HD23 HG23 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.757 HG12 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.7 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.867 HG22 HG23 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.45 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.45 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.826 HD13 ' HE3' ' A' 1734 ' ' MET . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1717 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.2 m80 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.459 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.779 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.867 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.409 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.409 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.722 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.634 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.499 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.494 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.45 -21.2 59.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 13.2 m -68.21 90.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.449 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 37.2 m80 -55.75 -49.1 94.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 113.412 0.893 . . . . 1.0 113.412 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 76.4 Cg_exo -51.1 -58.96 1.34 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.915 1.743 . . . . 1.0 112.615 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.84 -42.79 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.431 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.737 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.676 HD22 HG13 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.721 ' HG3' ' HB2' ' A' 1652 ' ' PRO . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.916 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1790 ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.916 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.719 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1794 ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.867 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.719 ' HB3' HD13 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.757 HG13 HG12 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.435 HD23 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.518 HG23 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1818 ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1649 ' ' GLY . . . . . 0.545 ' O ' HG12 ' A' 1650 ' ' ILE . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.653 -0.579 . . . . 1.0 111.653 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' 1649 ' ' GLY . 12.8 pt 56.31 11.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.923 1.289 . . . . 1.0 113.622 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.55 72.71 1.15 Allowed Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 122.888 0.475 . . . . 1.0 110.852 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' 1649 ' ' GLY . 97.5 Cg_endo -88.2 151.74 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.995 2.463 . . . . 1.0 113.192 -172.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 32.5 p90 51.87 7.65 0.05 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.629 1.171 . . . . 1.0 113.4 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.468 ' OG1' ' HG2' ' A' 1658 ' ' GLN . 0.8 OUTLIER -152.0 -175.86 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 1.0 110.719 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' 1656 ' ' PRO . . . -90.26 171.8 7.97 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.397 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' 1655 ' ' ALA . 80.2 Cg_exo -51.76 153.1 11.98 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.25 2.633 . . . . 1.0 112.638 169.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.562 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1664 ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.412 HG21 HD21 ' A' 1698 ' ' LEU . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.474 HD11 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.591 ' O ' HG23 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.45 HD23 HG23 ' A' 1811 ' ' THR . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.853 HG12 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 1703 ' ' LEU . 52.8 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.68 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.812 HG22 HG23 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.659 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.511 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.752 HG11 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1732 ' ' SER . . . . . 0.669 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1735 ' ' ALA . . . . . 0.445 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' 1732 ' ' SER . 92.9 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.418 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.68 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.582 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.633 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.61 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.616 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.62 -29.18 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 23.4 m -67.66 97.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.943 0.402 . . . . 1.0 110.25 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -57.7 -45.61 99.81 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.98 -2.76 3.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.342 2.028 . . . . 1.0 113.512 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' 1820 ' ' ALA . 33.6 tt0 -120.06 -51.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 0.0 OUTLIER -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' 1760 ' ' ALA . 66.0 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.408 ' HA ' HD13 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.813 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.661 HD22 HG13 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.511 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.812 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.853 HG13 HG12 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.475 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.45 HG23 HD23 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' 1757 ' ' GLN . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.24 -0.344 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 15.1 tt -105.75 -13.99 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.907 0.384 . . . . 1.0 110.121 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 22.2 t70 68.36 89.9 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.154 -0.93 . . . . 1.0 110.812 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -88.84 149.54 5.92 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.869 2.379 . . . . 1.0 111.795 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.43 ' O ' ' HB ' ' A' 1654 ' ' THR . 98.2 m-85 62.45 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.263 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 1653 ' ' PHE . 9.0 t 173.37 165.93 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.048 0.139 . . . . 1.0 110.973 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 87.05 161.2 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.625 0 O-C-N 124.348 1.03 . . . . 1.0 113.132 165.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.596 ' O ' ' HB1' ' A' 1724 ' ' ALA . 13.0 Cg_exo -70.9 170.75 17.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.188 2.592 . . . . 1.0 111.298 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1667 ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1670 ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.797 ' HG ' HG23 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1677 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1673 ' ' ARG . 84.5 mm-40 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.475 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.403 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.445 HD11 ' HB1' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 27.3 t60 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.839 HG12 HG13 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.72 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' 1713 ' ' ILE . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.895 HG22 HG23 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.542 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.542 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1718 ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' 1721 ' ' ARG . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.488 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 1718 ' ' SER . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.488 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.474 HG13 HD22 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.904 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.48 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.797 HG23 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.483 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' 1694 ' ' SER . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.19 91.84 3.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 15.8 t -162.57 -145.25 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.224 -0.898 . . . . 1.0 108.73 -173.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.476 ' HB3' ' CD ' ' A' 1756 ' ' PRO . 50.6 m80 -67.91 172.04 4.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 175.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.476 ' CD ' ' HB3' ' A' 1755 ' ' HIS . 51.7 Cg_exo -57.91 8.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.546 2.83 . . . . 1.0 115.546 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.457 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 -56.63 -37.28 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.547 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.793 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.474 HD22 HG13 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.504 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.651 HD22 ' H ' ' A' 1788 ' ' GLN . 2.1 t-20 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.651 ' H ' HD22 ' A' 1785 ' ' ASN . 89.3 mm-40 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.685 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.685 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 1789 ' ' ALA . 23.5 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.895 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.716 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.839 HG13 HG12 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.642 HD23 HG21 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.631 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' 1702 ' ' MET . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.873 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.669 -0.572 . . . . 1.0 111.669 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 49.5 pt -76.35 -26.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.904 0.352 . . . . 1.0 110.131 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.31 81.91 0.25 Allowed Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.327 -0.852 . . . . 1.0 111.654 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.35 13.7 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.672 2.248 . . . . 1.0 111.756 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 12.3 m-85 -100.69 -167.63 1.46 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.302 -0.863 . . . . 1.0 109.136 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.9 t -167.91 89.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.381 0.61 . . . . 1.0 111.938 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 179.36 157.23 0.69 Allowed Pre-proline 0 C--O 1.237 0.421 0 CA-C-N 115.316 -0.857 . . . . 1.0 110.205 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.4 Cg_exo -60.31 147.41 93.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.452 2.102 . . . . 1.0 111.091 170.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.665 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.665 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.793 HD12 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1677 ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.416 ' HB2' HD11 ' A' 1687 ' ' LEU . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.631 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.565 HH21 ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.584 HD11 ' HB1' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.58 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.584 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.409 HD21 HG21 ' A' 1693 ' ' ILE . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.604 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.587 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.594 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.859 HG12 HG13 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.675 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' 1713 ' ' ILE . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.885 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.839 HG22 HG23 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.486 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1716 ' ' LEU . . . . . 1.008 HD13 ' HE3' ' A' 1734 ' ' MET . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.629 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.913 HG13 HD22 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1734 ' ' MET . . . . . 1.008 ' HE3' HD13 ' A' 1716 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.4 ' HB2' HG12 ' A' 1709 ' ' ILE . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.497 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.573 HD11 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.82 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.478 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' 1694 ' ' SER . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.6 87.3 5.05 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 21.1 t -146.44 -59.05 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.188 -0.915 . . . . 1.0 109.964 -172.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.549 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 51.6 m80 -152.46 172.2 5.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.127 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 79.7 Cg_exo -50.87 -17.96 3.79 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.877 2.384 . . . . 1.0 112.934 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.58 ' OE1' HG23 ' A' 1813 ' ' THR . 10.3 mm-40 -45.88 -41.16 10.96 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.329 0.652 . . . . 1.0 111.941 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.445 HG23 HD22 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.544 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.477 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.764 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.913 HD22 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.589 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.505 ' OE1' ' HG3' ' A' 1787 ' ' LYS . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' 1797 ' ' GLU . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.687 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 1793 ' ' GLN . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.687 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.839 HG23 HG22 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.789 ' HB3' HD13 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.46 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.859 HG13 HG12 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.524 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.587 HG23 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.336 -0.306 . . . . 1.0 112.336 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -132.66 173.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.16 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -119.43 99.27 50.18 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.456 0.646 . . . . 1.0 110.358 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.08 -19.4 12.22 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.738 2.292 . . . . 1.0 111.807 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.556 ' HB3' ' OD1' ' A' 1785 ' ' ASN . 94.0 m-85 -105.24 -174.21 2.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.542 -0.91 . . . . 1.0 108.542 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.5 t -147.12 101.53 3.41 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.047 -0.661 . . . . 1.0 112.506 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 178.95 146.93 0.38 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.846 -1.07 . . . . 1.0 109.964 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.65 130.48 28.17 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.397 2.065 . . . . 1.0 110.793 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.791 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.617 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.83 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.542 HD21 HG13 ' A' 1746 ' ' VAL . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.47 ' HA ' ' OG ' ' A' 1750 ' ' SER . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.569 ' HG2' ' HD2' ' A' 1751 ' ' LYS . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.567 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.418 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.56 ' HE2' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.582 ' HA ' HG12 ' A' 1706 ' ' VAL . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.603 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.707 ' HB2' HG11 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.909 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1718 ' ' SER . . . . . 0.503 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.503 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.68 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.791 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1732 ' ' SER . . . . . 0.643 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.909 ' HE3' HD13 ' A' 1716 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 1732 ' ' SER . 87.6 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.457 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.705 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.73 HG23 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.467 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.569 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.523 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.72 -15.4 48.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1754 ' ' SER . . . . . 0.418 ' H ' HG22 ' A' 1752 ' ' THR . 18.6 m -88.69 100.29 13.01 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.603 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 16.0 m-70 -60.03 -53.36 65.97 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.83 0.678 . . . . 1.0 112.83 -171.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' 1755 ' ' HIS . 21.9 Cg_endo -61.59 -23.48 76.53 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.789 1.659 . . . . 1.0 112.463 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' 1821 ' ' ALA . 4.9 tp-100 -88.8 -41.43 12.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.659 -177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.669 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1759 ' ' MET . . . . . 0.541 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.705 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1668 ' ' LEU . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.734 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.727 HD22 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.556 ' OD1' ' HB3' ' A' 1653 ' ' PHE . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1799 ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1797 ' ' GLU . 2.8 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.41 ' CG ' HE22 ' A' 1764 ' ' GLN . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.42 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.482 HG23 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.56 HD21 ' HE2' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' 1757 ' ' GLN . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.127 -0.389 . . . . 1.0 112.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.45 HG13 ' HD3' ' A' 1652 ' ' PRO . 34.2 pt -119.66 -175.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -119.51 82.24 24.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.723 0.296 . . . . 1.0 110.65 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.45 ' HD3' HG13 ' A' 1650 ' ' ILE . 90.5 Cg_endo -93.09 170.17 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.151 2.567 . . . . 1.0 110.631 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.403 ' HB2' ' NE2' ' A' 1658 ' ' GLN . 19.5 m-85 54.75 38.22 29.75 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 47.3 p -39.57 107.7 0.07 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.418 -1.264 . . . . 1.0 114.167 -164.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -170.75 152.83 3.87 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.874 -1.057 . . . . 1.0 109.47 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.557 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.9 Cg_exo -60.43 140.43 91.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.243 1.962 . . . . 1.0 110.844 173.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' 1653 ' ' PHE . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.595 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.757 ' HG ' HG23 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1677 ' ' GLN . . . . . 0.564 ' HG2' ' O ' ' A' 1673 ' ' ARG . 12.8 mm-40 -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.62 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.638 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.519 HG22 ' HE ' ' A' 1690 ' ' ARG . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.661 HD21 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' 1696 ' ' GLU . 10.3 t60 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.545 ' O ' HG23 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.765 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.769 HG22 HG23 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' 1714 ' ' GLU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.808 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.739 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.689 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.45 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.595 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.808 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.757 HG23 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.474 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.59 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.647 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.8 -28.55 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 20.0 m -70.45 87.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.488 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.485 ' HA ' ' HB3' ' A' 1758 ' ' GLN . 93.8 m-70 -57.2 -45.3 99.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.371 -0.832 . . . . 1.0 112.76 -171.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.77 -38.59 57.05 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 1.0 113.268 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.497 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 30.0 mm-40 -83.04 -42.62 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.608 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.566 HD11 HD22 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.566 HD22 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.417 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.689 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 22.2 tp60 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.563 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1794 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.567 ' HA ' HG12 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.769 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.595 ' O ' HG23 ' A' 1807 ' ' VAL . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1814 ' ' LEU . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1816 ' ' GLU . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1810 ' ' LEU . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' 1812 ' ' THR . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.29 -0.324 . . . . 1.0 112.29 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.0 tp -107.94 133.47 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 18.3 t0 -126.02 100.32 30.49 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 120.918 0.39 . . . . 1.0 109.977 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.592 ' HB2' ' HB3' ' A' 1788 ' ' GLN . 73.3 Cg_endo -93.35 111.86 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.273 2.649 . . . . 1.0 112.957 -176.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.532 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 26.0 p90 -156.39 138.97 14.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 13.2 t -175.02 29.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.128 0.49 . . . . 1.0 111.489 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' 1658 ' ' GLN . . . -133.4 162.24 58.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 122.049 -0.407 . . . . 1.0 111.206 -175.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo -68.05 144.95 65.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.763 2.308 . . . . 1.0 111.384 174.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.532 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.666 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1664 ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.625 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.745 ' HG ' HG23 ' A' 1742 ' ' THR . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.709 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.709 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' 1687 ' ' LEU . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.474 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.517 HD13 HD23 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.517 HD23 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.414 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 57.3 t60 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.607 ' O ' HG23 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.577 HD23 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1704 ' ' THR . . . . . 0.523 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.556 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.804 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.523 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.707 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.898 HG22 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.408 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.97 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.513 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' 1733 ' ' GLN . 16.1 t-80 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.691 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.97 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1735 ' ' ALA . . . . . 0.474 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.484 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.612 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.745 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.674 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.587 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp -97.06 -30.72 12.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1754 ' ' SER . . . . . 0.439 ' HB3' ' OE1' ' A' 1757 ' ' GLN . 51.8 m -66.48 104.88 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.054 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.412 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 39.6 m80 -61.47 -45.23 94.2 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 113.278 0.844 . . . . 1.0 113.278 -171.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 44.1 Cg_exo -59.23 -13.69 20.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.615 2.21 . . . . 1.0 113.74 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.439 ' OE1' ' HB3' ' A' 1754 ' ' SER . 27.2 mp0 -106.01 -53.59 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 175.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.673 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.691 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.583 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.583 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' 1652 ' ' PRO . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.715 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.715 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.827 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.827 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.898 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.672 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.573 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.804 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.495 HD23 HG21 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.577 HG23 HD23 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.412 HD21 ' HE3' ' A' 1702 ' ' MET . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.414 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 4.5 m-20 -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.609 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.896 -0.482 . . . . 1.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.1 tt -135.89 135.49 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.51 ' HB2' ' CE2' ' A' 1653 ' ' PHE . 7.8 p-10 -127.58 107.77 20.85 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.471 0.653 . . . . 1.0 110.065 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.529 ' HG2' ' HG3' ' A' 1781 ' ' GLU . 90.1 Cg_endo -83.88 -11.34 8.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.779 2.319 . . . . 1.0 112.46 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.516 ' HB3' ' O ' ' A' 1780 ' ' LYS . 0.4 OUTLIER -77.99 -71.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.714 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1654 ' ' THR . 41.1 m 63.92 46.36 3.9 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.787 0.803 . . . . 1.0 111.13 170.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 1783 ' ' GLY . . . -158.38 160.73 29.46 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.711 -0.618 . . . . 1.0 111.779 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.6 165.94 12.61 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.148 2.566 . . . . 1.0 112.137 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.742 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.807 ' HG ' HG23 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.672 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' 1698 ' ' LEU . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.44 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 30.2 t60 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.511 ' O ' HG12 ' A' 1706 ' ' VAL . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1704 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.743 HG22 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 85.6 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1708 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.671 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.807 HG22 HG23 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1716 ' ' LEU . . . . . 1.035 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1717 ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.422 ' CB ' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.627 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.767 HG13 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.705 ' O ' ' HG2' ' A' 1736 ' ' GLN . 56.2 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1734 ' ' MET . . . . . 1.035 ' HE3' HD13 ' A' 1716 ' ' LEU . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.449 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.807 HG23 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.732 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.1 15.77 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1754 ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' 1755 ' ' HIS . 6.3 m -85.73 63.09 7.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.204 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.794 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 44.9 m80 71.46 170.02 0.12 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.254 -175.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.794 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 45.2 Cg_endo -67.26 29.87 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.064 2.509 . . . . 1.0 114.791 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -64.62 -38.42 90.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.732 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.561 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.767 HD22 HG13 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1779 ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.567 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' 1652 ' ' PRO . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1783 ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' 1655 ' ' ALA . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.581 ' OD1' ' HB2' ' A' 1788 ' ' GLN . 2.6 t-20 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.581 ' HB2' ' OD1' ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.807 HG23 HG22 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.702 ' HB3' HD13 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.425 HG22 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.743 HG13 HG22 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.403 HG23 HD23 ' A' 1703 ' ' LEU . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.456 ' HB1' HG23 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.932 -0.467 . . . . 1.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 31.0 pt -91.74 125.41 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.008 0.432 . . . . 1.0 110.541 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -76.6 114.7 41.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.208 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.79 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 33.4 Cg_exo -61.69 -42.93 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.725 2.283 . . . . 1.0 113.264 -176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.46 ' H ' ' HG2' ' A' 1658 ' ' GLN . 10.1 m-85 -125.86 42.48 3.29 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.528 0.936 . . . . 1.0 113.528 -173.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.8 m 67.47 33.85 4.99 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 159.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.403 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -156.05 163.58 24.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.167 -0.958 . . . . 1.0 112.824 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.525 ' O ' ' HB1' ' A' 1724 ' ' ALA . 2.8 Cg_exo -81.02 109.15 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.794 2.996 . . . . 1.0 112.171 169.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.79 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.681 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.484 HG23 HD11 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.62 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.766 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.738 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.515 ' O ' HD13 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.756 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.849 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.849 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.566 ' O ' HG23 ' A' 1706 ' ' VAL . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.604 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.585 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.826 HG12 HG13 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' 1703 ' ' LEU . 41.3 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.739 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.821 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.875 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.815 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.495 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.723 HG13 HD22 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.692 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.821 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' 1733 ' ' GLN . 2.1 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.521 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.64 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.442 HG23 ' HB1' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp -124.7 -6.57 7.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1754 ' ' SER . . . . . 0.554 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 4.0 m -69.37 101.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.825 -174.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.961 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 18.0 m-70 63.78 -169.19 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.796 0 CA-C-O 119.138 -0.458 . . . . 1.0 109.915 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.961 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 71.6 Cg_endo -77.61 20.33 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.499 1.466 . . . . 1.0 114.013 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -64.23 -46.71 82.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 0.6 OUTLIER -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.766 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.804 HD11 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.723 HD22 HG13 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1778 ' ' THR . . . . . 0.573 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1779 ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' 1653 ' ' PHE . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.807 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1791 ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.807 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1794 ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.875 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' 1797 ' ' GLU . 15.9 mm100 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.736 ' HB3' HD13 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.826 HG13 HG12 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1808 ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.604 HG23 HD23 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.476 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 6.3 m-20 -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.626 -0.589 . . . . 1.0 111.626 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 12.2 tt -145.52 143.13 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.798 0.332 . . . . 1.0 110.245 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.47 83.66 5.61 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.716 -0.846 . . . . 1.0 108.716 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.28 -9.6 24.55 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.748 2.299 . . . . 1.0 113.459 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.702 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 97.4 m-85 -96.09 20.86 9.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.74 0.305 . . . . 1.0 111.408 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 5.1 m 69.79 38.1 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.684 0.624 . . . . 1.0 112.684 165.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -166.73 167.66 7.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 121.72 -0.612 . . . . 1.0 112.535 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.592 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo -82.01 142.54 12.44 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.404 2.736 . . . . 1.0 111.233 167.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.807 ' HA ' HG11 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1664 ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.453 HG23 HD11 ' A' 1773 ' ' LEU . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.544 HD11 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.589 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' 1687 ' ' LEU . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.464 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.464 ' H ' ' HD3' ' A' 1690 ' ' ARG . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.679 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.748 HG12 HG13 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' 1703 ' ' LEU . 52.7 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.734 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.744 ' HB2' HG11 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.859 HG22 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1716 ' ' LEU . . . . . 1.034 HD13 ' HE3' ' A' 1734 ' ' MET . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1722 ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.697 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' 1720 ' ' ALA . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' 1736 ' ' GLN . 97.8 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1734 ' ' MET . . . . . 1.034 ' HE3' HD13 ' A' 1716 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1735 ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.9 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.403 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' 1736 ' ' GLN . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.739 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.535 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.595 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp -98.41 84.8 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.2 t -149.5 -159.13 0.99 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.642 -0.873 . . . . 1.0 108.642 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.419 ' O ' ' N ' ' A' 1757 ' ' GLN . 9.9 p80 -61.94 162.87 15.01 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 170.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.08 18.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 124.337 3.358 . . . . 1.0 117.3 -166.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.62 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 118.789 0.722 . . . . 1.0 109.952 171.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.472 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1759 ' ' MET . . . . . 0.472 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.595 HD22 ' HB2' ' A' 1749 ' ' ALA . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.403 HG22 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.544 ' HG3' HD11 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.816 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.785 HD22 HG13 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.482 ' HE3' ' CE2' ' A' 1653 ' ' PHE . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.572 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.618 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1783 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.697 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.837 HD21 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB2' HD21 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.859 HG23 HG22 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.773 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.748 HG13 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.62 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.679 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 5.3 m-20 -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1822 ' ' GLY . . . . . 0.521 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.914 -0.474 . . . . 1.0 111.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' 1651 ' ' ASP . 31.7 pt -83.88 -39.26 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.675 ' HB3' ' HB ' ' A' 1654 ' ' THR . 12.5 t70 171.36 100.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 107.499 -1.297 . . . . 1.0 107.499 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.95 106.89 0.18 Allowed 'Trans proline' 0 N--CA 1.47 0.144 0 C-N-CA 123.463 2.775 . . . . 1.0 113.41 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.688 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 41.6 m-85 58.66 44.67 17.05 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.747 0.784 . . . . 1.0 109.289 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.675 ' HB ' ' HB3' ' A' 1651 ' ' ASP . 12.2 t -43.16 124.81 3.43 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 113.436 -1.711 . . . . 1.0 114.522 -168.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.416 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -164.84 171.08 5.8 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.373 -1.285 . . . . 1.0 108.236 174.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' 1724 ' ' ALA . 15.0 Cg_exo -69.77 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.02 1.813 . . . . 1.0 111.799 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1659 ' ' LEU . . . . . 0.478 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.731 ' HA ' HG11 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1664 ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' 1665 ' ' ILE . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.576 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.729 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1676 ' ' ASP . . . . . 0.541 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.819 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.819 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.55 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.502 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.544 HD11 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1701 ' ' GLN . . . . . 0.588 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.567 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.471 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1704 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.675 HG12 HG13 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1708 ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.678 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' 1713 ' ' ILE . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.436 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1718 ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.743 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' 1730 ' ' LYS . 66.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.431 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.738 HG13 HD22 ' A' 1776 ' ' LEU . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.831 ' HB2' HD11 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1735 ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.482 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.588 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.584 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.688 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.57 -11.19 18.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 42.2 t -71.81 103.39 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.112 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.465 ' N ' ' HD2' ' A' 1756 ' ' PRO . 55.7 t-80 -51.2 -52.39 59.28 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.61 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' 1755 ' ' HIS . 38.3 Cg_endo -65.58 -6.12 13.07 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.305 2.004 . . . . 1.0 113.599 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.529 HE21 ' CB ' ' A' 1820 ' ' ALA . 11.5 mm-40 -113.89 -50.38 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 177.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.678 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1749 ' ' ALA . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.541 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.552 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.456 ' CG ' HD11 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.507 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.649 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.738 HD22 HG13 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' 1658 ' ' GLN . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.699 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1783 ' ' GLY . . . . . 0.431 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.688 ' ND2' ' HB3' ' A' 1653 ' ' PHE . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.512 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 7.4 tp-100 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.642 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.699 HG22 ' HB2' ' A' 1782 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.575 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.579 ' HA ' HG12 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.762 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.675 HG13 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1814 ' ' LEU . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.471 HG23 HD23 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.407 HG23 ' OE1' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.529 ' CB ' HE21 ' A' 1757 ' ' GLN . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1822 ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1649 ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' 1659 ' ' LEU . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.594 -0.202 . . . . 1.0 112.594 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.1 tp -161.58 129.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.878 0.37 . . . . 1.0 110.358 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -98.63 107.96 45.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.444 0.64 . . . . 1.0 110.335 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 95.0 Cg_endo -86.61 -2.25 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.54 2.16 . . . . 1.0 112.87 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.425 ' CG ' ' HA ' ' A' 1781 ' ' GLU . 83.0 m-85 -137.87 25.49 2.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.338 0.496 . . . . 1.0 112.338 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' 1655 ' ' ALA . 60.9 m 61.34 80.49 0.22 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 166.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 166.69 164.92 0.11 Allowed Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.64 0.776 . . . . 1.0 110.501 172.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' 1724 ' ' ALA . 14.3 Cg_exo -73.5 -0.0 8.68 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.1 2.534 . . . . 1.0 113.434 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1657 ' ' GLY . . . . . 0.55 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.614 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1659 ' ' LEU . . . . . 0.417 ' CD1' ' HA2' ' A' 1649 ' ' GLY . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.543 HG23 HD11 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.746 HD12 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.746 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.728 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1684 ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1686 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.615 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.591 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.615 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.58 ' O ' HG23 ' A' 1706 ' ' VAL . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.696 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.849 HG12 HG13 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.759 ' HB2' HG11 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' 1803 ' ' MET . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1717 ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1718 ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.516 ' HB2' HD13 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1722 ' ' ALA . . . . . 0.429 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.446 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.528 ' O ' ' HG2' ' A' 1730 ' ' LYS . 19.0 mm-40 -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.55 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.632 HG13 HD22 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.728 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.585 ' HA ' HH11 ' A' 1690 ' ' ARG . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.571 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.53 -14.5 59.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.5 m -80.96 92.37 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.674 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 55.6 m80 -58.26 -54.35 56.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 1.0 112.099 -171.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.674 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 52.7 Cg_exo -55.85 -23.31 41.66 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.322 2.015 . . . . 1.0 113.329 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -83.54 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.879 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.537 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1772 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.543 HD11 HG23 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.596 HD11 HD22 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.632 HD22 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.489 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.87 ' HB2' HD21 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1791 ' ' HIS . . . . . 0.405 ' HA ' ' OE1' ' A' 1794 ' ' GLU . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.805 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1794 ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' 1791 ' ' HIS . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1799 ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.409 HG22 ' O ' ' A' 1801 ' ' GLN . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.849 HG13 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.51 HD23 HG21 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.696 HG23 HD23 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.439 HD23 HD22 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.822 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1818 ' ' ALA . . . . . 0.459 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.797 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.93 149.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 174.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -122.19 93.55 48.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.69 0.281 . . . . 1.0 111.144 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.606 ' HD2' ' HG2' ' A' 1781 ' ' GLU . 86.0 Cg_endo -89.26 108.97 0.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.038 2.492 . . . . 1.0 111.857 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1653 ' ' PHE . . . . . 1.008 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 37.5 p90 -158.73 141.9 14.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.779 0.323 . . . . 1.0 111.269 -177.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.5 t -164.48 26.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.098 0.475 . . . . 1.0 111.189 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.488 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.39 171.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.388 -173.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' 1655 ' ' ALA . 50.2 Cg_exo -59.51 159.82 22.42 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.096 2.531 . . . . 1.0 112.699 174.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1658 ' ' GLN . . . . . 1.008 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG11 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.42 HG23 HD11 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1667 ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.767 HD12 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1670 ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' 1667 ' ' ALA . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.767 ' SG ' HD12 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.713 ' HG ' HG23 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.458 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1684 ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' 1686 ' ' GLN . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1686 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 1684 ' ' SER . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.424 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.637 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.588 HD23 HG23 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.767 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.679 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.519 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.7 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.597 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.813 ' HE3' HD13 ' A' 1716 ' ' LEU . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.545 ' CE1' HD13 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.727 ' O ' HG23 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.455 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.532 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.688 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.689 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.577 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.29 3.56 14.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.7 m -58.84 -63.32 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.789 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.538 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 10.0 m80 -155.6 177.87 1.88 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.26 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 51.0 Cg_exo -56.86 -1.8 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 123.256 2.638 . . . . 1.0 114.587 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -49.45 -38.84 31.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.42 HD11 HG23 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.805 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.707 HD22 HG13 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.872 HD21 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.872 ' HB3' HD21 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.831 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.831 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.577 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.7 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.767 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.44 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.588 HG23 HD23 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.703 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1822 ' ' GLY . . . . . 0.637 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 8.8 tt -148.63 116.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.276 0.56 . . . . 1.0 110.862 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' 1652 ' ' PRO . 7.1 p-10 -125.97 115.86 24.15 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.507 173.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.85 ' HG2' ' HB3' ' A' 1781 ' ' GLU . 5.2 Cg_exo -78.42 125.33 6.91 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 123.225 2.616 . . . . 1.0 112.893 -176.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.415 ' CD2' ' HG2' ' A' 1658 ' ' GLN . 30.0 t80 -169.86 108.92 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.411 175.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.0 t -174.51 32.76 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.876 0.37 . . . . 1.0 111.622 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' 1785 ' ' ASN . . . -147.31 164.99 20.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 122.063 -0.398 . . . . 1.0 111.442 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.51 153.91 76.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.714 2.276 . . . . 1.0 111.486 170.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.415 ' HG2' ' CD2' ' A' 1653 ' ' PHE . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.794 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.589 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.715 ' HG ' HG23 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.441 HD21 HG13 ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.727 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.483 HG21 HD21 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' 1698 ' ' LEU . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.44 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.44 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.516 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.725 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.728 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' 1713 ' ' ILE . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.45 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.778 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.648 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.671 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.416 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' 1727 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1729 ' ' HIS . 98.8 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.897 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.715 HG23 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.727 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 1742 ' ' THR . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.695 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.718 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.13 -30.84 62.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 40.3 t -68.98 89.15 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.605 ' N ' ' HD2' ' A' 1756 ' ' PRO . 32.5 m170 -60.63 -44.52 95.6 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 113.34 0.867 . . . . 1.0 113.34 -172.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' 1755 ' ' HIS . 5.7 Cg_endo -49.07 -51.97 9.61 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.178 1.919 . . . . 1.0 112.608 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.73 -34.58 52.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.857 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' 1745 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.707 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.624 HD22 HG13 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1779 ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.85 ' HB3' ' HG2' ' A' 1652 ' ' PRO . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.682 ' HB2' ' HB2' ' A' 1655 ' ' ALA . 20.7 t-20 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.437 ' HB3' ' OE1' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.554 ' HG3' ' HA ' ' A' 1652 ' ' PRO . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.9 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.9 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.437 ' OE1' ' HB3' ' A' 1786 ' ' PRO . 41.0 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1801 ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.692 ' HB3' HD13 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.444 HG22 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.728 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.725 HG23 HD23 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.031 -0.428 . . . . 1.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 38.1 pt -81.05 166.58 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.707 0.289 . . . . 1.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.18 77.99 76.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 121.079 0.466 . . . . 1.0 111.205 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -97.12 -80.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.104 2.536 . . . . 1.0 113.188 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.819 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 45.8 p90 -169.49 142.17 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.4 p -149.86 32.43 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.47 0.915 . . . . 1.0 113.47 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 1658 ' ' GLN . . . -152.29 164.61 19.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 C-N-CA 120.599 -0.44 . . . . 1.0 111.582 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -63.66 138.28 63.47 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.891 2.394 . . . . 1.0 112.041 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.819 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.751 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.562 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1676 ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.407 ' CD1' ' HD3' ' A' 1751 ' ' LYS . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1701 ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.572 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.735 HD23 HG23 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.807 HG12 HG13 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.657 ' HB2' HG11 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.838 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1717 ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.448 ' HB3' HD23 ' A' 1796 ' ' LEU . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.744 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.822 HG13 HD22 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.838 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.477 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.517 HD11 HG22 ' A' 1706 ' ' VAL . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.445 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp -130.44 20.91 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1754 ' ' SER . . . . . 0.744 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 10.2 m -97.24 103.55 15.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.198 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.765 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 63.4 m-70 62.38 176.41 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 O-C-N 123.417 0.448 . . . . 1.0 110.727 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.765 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 47.4 Cg_endo -70.24 24.84 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.376 2.051 . . . . 1.0 112.864 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.489 ' HG2' ' HB2' ' A' 1755 ' ' HIS . 87.1 mm-40 -66.3 -48.55 69.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.221 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.674 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.498 HG23 HD22 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.815 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.822 HD22 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.611 ' HG2' ' HB3' ' A' 1653 ' ' PHE . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1783 ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.475 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.765 ' HB3' HD13 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.807 HG13 HG12 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.447 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.735 HG23 HD23 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.423 HD23 HD22 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.744 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.255 -0.338 . . . . 1.0 112.255 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 1650 ' ' ILE . 11.2 tp -100.57 9.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.751 0.786 . . . . 1.0 109.663 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.592 ' HB3' ' HB2' ' A' 1658 ' ' GLN . 5.0 m-20 -54.14 115.7 8.88 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.786 -1.097 . . . . 1.0 111.351 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 51.8 Cg_exo -54.89 -47.93 23.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.04 2.494 . . . . 1.0 112.487 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' 1781 ' ' GLU . 89.1 m-85 -89.82 18.4 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.797 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 15.0 t 47.08 50.16 14.31 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.999 0.919 . . . . 1.0 112.973 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -148.5 164.94 19.46 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.152 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.45 119.27 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.492 2.128 . . . . 1.0 111.446 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' 1651 ' ' ASP . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.748 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.509 ' CB ' ' HB1' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.891 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.638 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.56 ' HA ' HD12 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1697 ' ' ALA . . . . . 0.638 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.499 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 32.4 t-80 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.59 ' O ' HG23 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.502 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1704 ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.774 HG12 HG13 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1708 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.672 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.818 HG22 HG23 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.454 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.781 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.624 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.424 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.834 HG13 HD22 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.812 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.423 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.46 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.891 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.509 ' HB1' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp -84.41 -13.76 51.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 39.6 t -68.14 91.86 0.38 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.306 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.63 ' N ' ' HD2' ' A' 1756 ' ' PRO . 93.2 m-70 -54.42 -44.28 98.68 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.663 0.986 . . . . 1.0 113.663 -172.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' 1755 ' ' HIS . 2.0 Cg_endo -45.53 -52.24 6.98 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.669 2.246 . . . . 1.0 112.893 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -82.88 -43.95 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.772 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 3.2 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.402 HD11 HG23 ' A' 1665 ' ' ILE . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.718 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.834 HD22 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.73 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.797 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.406 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.469 ' HA ' HE21 ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.797 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1790 ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' 1781 ' ' GLU . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.55 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.818 HG23 HG22 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.717 ' HB3' HD13 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.5 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.774 HG13 HG12 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.653 HD23 HG21 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.502 HG23 HD23 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1815 ' ' ASN . . . . . 0.499 ' HA ' ' NE2' ' A' 1699 ' ' HIS . 3.7 m-20 -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 25.0 pt -116.15 -164.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.457 -0.201 . . . . 1.0 110.457 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 123.04 85.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' 1658 ' ' GLN . 23.8 Cg_exo -63.61 151.74 83.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.484 2.122 . . . . 1.0 111.553 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' 1781 ' ' GLU . 62.0 m-85 57.23 -118.46 1.13 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.336 0.398 . . . . 1.0 109.939 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.431 HG23 ' O ' ' A' 1654 ' ' THR . 9.4 t -177.94 91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.541 0.686 . . . . 1.0 112.194 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.452 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 178.83 162.27 0.69 Allowed Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.283 176.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.3 Cg_exo -76.71 108.7 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.75 2.3 . . . . 1.0 111.564 170.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' 1652 ' ' PRO . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.561 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.488 HG23 HD11 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.783 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.534 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.584 ' HA ' HD21 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.712 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.508 HD21 HG13 ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.496 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.676 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.596 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.626 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.587 HD21 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.626 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.606 ' O ' HG23 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.702 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 1709 ' ' ILE . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.763 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1703 ' ' LEU . 53.3 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.765 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.618 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.793 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.894 HG22 HG23 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.878 HD13 ' HE3' ' A' 1734 ' ' MET . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1720 ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.518 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.502 HG13 HD22 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.878 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.712 ' O ' HG23 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.449 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.712 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.46 HG23 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1753 ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' 1753 ' ' LEU . 5.1 tt -72.98 -31.73 64.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 14.9 m -64.68 95.77 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.464 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.612 ' N ' ' HD2' ' A' 1756 ' ' PRO . 93.1 m-70 -59.86 -47.6 96.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 -170.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' 1755 ' ' HIS . 3.3 Cg_endo -46.14 -45.73 17.59 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.715 2.277 . . . . 1.0 113.043 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1757 ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' 1756 ' ' PRO . 2.4 mp0 -86.73 -41.58 14.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.59 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1759 ' ' MET . . . . . 0.425 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.484 ' HG ' ' CE2' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.502 HD22 HG13 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1777 ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.561 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.532 ' HA ' ' CE2' ' A' 1653 ' ' PHE . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1783 ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.426 ' ND2' ' HE2' ' A' 1787 ' ' LYS . 2.6 t-20 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.6 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.6 ' H ' ' HG2' ' A' 1787 ' ' LYS . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1790 ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1791 ' ' HIS . . . . . 0.486 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1794 ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1796 ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.894 HG23 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.738 ' HB3' HD13 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1805 ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.763 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1808 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.489 HD21 ' HE1' ' A' 1702 ' ' MET . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.702 HG23 HD23 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' 1816 ' ' GLU . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 1812 ' ' THR . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.812 -0.515 . . . . 1.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 5.7 tp -110.03 88.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.854 0.835 . . . . 1.0 110.072 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1651 ' ' ASP . . . . . 0.407 ' OD1' ' NZ ' ' A' 1780 ' ' LYS . 27.3 t70 -116.39 117.67 38.26 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.35 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.72 -169.64 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.795 2.33 . . . . 1.0 112.153 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.56 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 16.4 m-85 65.98 -172.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.748 -0.464 . . . . 1.0 109.748 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.6 t -156.48 99.53 1.9 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.058 0.456 . . . . 1.0 111.806 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 176.65 159.82 0.47 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.173 -0.921 . . . . 1.0 109.779 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1656 ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo -76.18 116.2 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.604 2.203 . . . . 1.0 111.406 170.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.56 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1660 ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.58 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.784 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.546 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1682 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.92 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.92 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.556 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1696 ' ' GLU . . . . . 0.716 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1699 ' ' HIS . . . . . 0.716 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.707 ' HE3' HD21 ' A' 1814 ' ' LEU . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1703 ' ' LEU . . . . . 0.669 HD13 HG23 ' A' 1811 ' ' THR . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1707 ' ' GLN . . . . . 0.441 ' HG3' ' O ' ' A' 1703 ' ' LEU . 58.6 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.752 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.462 ' HB2' HG11 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.827 HG22 HG23 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.406 ' N ' ' HD2' ' A' 1715 ' ' PRO . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.409 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.812 HD22 HD11 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.566 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.414 HG13 HD22 ' A' 1776 ' ' LEU . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.69 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.895 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1737 ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.452 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.614 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.784 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.563 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.47 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.811 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1751 ' ' LYS . . . . . 0.509 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1752 ' ' THR . . . . . 0.59 HG23 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp -98.72 -16.27 19.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.3 p -89.56 101.05 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 1.0 109.616 174.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1755 ' ' HIS . . . . . 0.615 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 19.3 t-80 -55.73 -50.68 85.66 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 115.296 -0.866 . . . . 1.0 112.566 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1756 ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' 1755 ' ' HIS . 17.6 Cg_endo -57.08 -42.76 60.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.17 1.913 . . . . 1.0 112.777 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -62.23 -51.22 68.64 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1758 ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.8 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.614 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.812 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1776 ' ' LEU . . . . . 0.414 HD22 HG13 ' A' 1731 ' ' VAL . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' 1651 ' ' ASP . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1785 ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1786 ' ' PRO . . . . . 0.513 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1788 ' ' GLN . . . . . 0.447 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 35.1 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.78 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.78 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.827 HG23 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.743 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1804 ' ' THR . . . . . 0.476 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1809 ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.517 HD23 HG21 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.669 HG23 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.707 HD21 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1821 ' ' ALA . . . . . 0.59 ' HB1' HG23 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 16.0 Cg_exo . . . . . 0 N--CA 1.458 -0.563 0 N-CA-C 110.376 -0.663 . . . . 1.0 110.376 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.804 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.697 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.697 ' SG ' HD12 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.708 ' HG ' HG23 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.667 ' HB3' HE21 ' A' 1686 ' ' GLN . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.667 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 1.001 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.547 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.575 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.621 HG12 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.725 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.407 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.843 HD22 HD11 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.733 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.608 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.733 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.491 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.849 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.4 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.708 HG23 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 1.001 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.681 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.497 ' CB ' HD22 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.644 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.537 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 12.8 mm-40 . . . . . 0 CA--C 1.53 0.189 0 CA-C-O 121.027 0.441 . . . . 1.0 110.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.442 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.528 ' OE1' ' HA ' ' A' 1810 ' ' LEU . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.594 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.843 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.804 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' 1792 ' ' THR . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.823 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.823 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.66 HG23 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.621 HG13 HG12 ' A' 1706 ' ' VAL . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.528 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.402 HG23 ' OE1' ' A' 1757 ' ' GLN . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.754 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo . . . . . 0 N--CA 1.461 -0.413 0 N-CA-C 111.419 -0.262 . . . . 1.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.521 ' HA ' HG11 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.779 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.606 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.44 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.691 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.54 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.478 ' HB2' HE21 ' A' 1686 ' ' GLN . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.478 HE21 ' HB2' ' A' 1684 ' ' SER . 46.0 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.986 HD12 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.535 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 2.8 t-160 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.592 ' O ' HG23 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.697 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.865 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 26.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' 1711 ' ' HIS . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.698 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.47 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' 1708 ' ' GLU . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.455 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.455 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.855 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.437 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.578 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.466 ' O ' ' HE2' ' A' 1730 ' ' LYS . 25.4 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.662 HG13 HD22 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.855 ' HE3' HD13 ' A' 1716 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.6 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.751 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.777 HG12 HD11 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.664 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.539 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.986 ' HB2' HD12 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1749 ' ' ALA . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.606 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.455 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.581 ' HA ' HD23 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.742 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.662 HD22 HG13 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' 1792 ' ' THR . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1785 ' ' ASN . 14.6 mm100 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.784 HG21 ' HB2' ' A' 1781 ' ' GLU . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' 1801 ' ' GLN . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.679 HG23 HG22 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 1797 ' ' GLU . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.865 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.54 HD23 HG21 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.697 HG23 HD23 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.457 HD23 HD22 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.562 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.9 OUTLIER -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.962 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo . . . . . 0 CA--C 1.519 -0.254 0 N-CA-C 111.449 -0.25 . . . . 1.0 111.449 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.779 ' HA ' HG11 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.461 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.485 HD12 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.722 ' HG ' HG23 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.443 ' HB2' ' HB1' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.778 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.778 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.471 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.47 HD23 HD13 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.518 HD23 HG23 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.757 HG12 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.7 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.867 HG22 HG23 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.45 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.45 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.826 HD13 ' HE3' ' A' 1734 ' ' MET . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.459 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.779 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.867 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.409 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.409 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.722 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.634 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.499 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.494 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp . . . . . 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.431 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.737 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.676 HD22 HG13 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' 1788 ' ' GLN . 15.0 t30 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.404 ' H ' ' ND2' ' A' 1785 ' ' ASN . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.916 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.916 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.719 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.867 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.719 ' HB3' HD13 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.757 HG13 HG12 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.435 HD23 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.518 HG23 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo . . . . . 0 CA--C 1.527 0.152 0 CA-C-O 120.956 0.315 . . . . 1.0 112.638 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.562 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.406 ' HB1' HE21 ' A' 1758 ' ' GLN . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.412 HG21 HD21 ' A' 1698 ' ' LEU . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.474 HD11 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.591 ' O ' HG23 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.457 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.853 HG12 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 1703 ' ' LEU . 47.4 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.68 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.812 HG22 HG23 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.659 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.511 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.752 HG11 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . 0.669 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . 0.445 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' 1732 ' ' SER . 21.4 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.418 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.68 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.582 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.633 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.61 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.616 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' 1820 ' ' ALA . 33.6 tt0 . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' 1760 ' ' ALA . 24.9 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.408 ' HA ' HD13 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.813 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.661 HD22 HG13 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.511 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.2 t30 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.812 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.853 HG13 HG12 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.475 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.45 HG23 HD23 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.457 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' 1757 ' ' GLN . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.596 ' O ' ' HB1' ' A' 1724 ' ' ALA . 13.0 Cg_exo . . . . . 0 C--O 1.229 0.063 0 N-CA-C 111.298 -0.308 . . . . 1.0 111.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.797 ' HG ' HG23 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1673 ' ' ARG . 14.5 mm100 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.475 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.521 ' HB3' HE21 ' A' 1686 ' ' GLN . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.521 HE21 ' HB3' ' A' 1684 ' ' SER . 47.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.403 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.445 HD11 ' HB1' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . 0.791 HE21 ' HB2' ' A' 1744 ' ' ALA . 21.7 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.839 HG12 HG13 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.72 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' 1713 ' ' ILE . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.895 HG22 HG23 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.542 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.542 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' 1721 ' ' ARG . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.488 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 1718 ' ' SER . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.488 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.474 HG13 HD22 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.904 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.48 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.797 HG23 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.791 ' HB2' HE21 ' A' 1701 ' ' GLN . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' 1694 ' ' SER . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.457 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.547 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.793 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.474 HD22 HG13 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.504 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 1.022 HD21 ' HB2' ' A' 1788 ' ' GLN . 20.7 t30 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 1.022 ' HB2' HD21 ' A' 1785 ' ' ASN . 16.8 mm100 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.685 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.685 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 1789 ' ' ALA . 78.1 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.895 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.716 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.839 HG13 HG12 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.642 HD23 HG21 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.631 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' 1702 ' ' MET . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.873 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.4 Cg_exo . . . . . 0 N--CA 1.462 -0.349 0 N-CA-C 111.091 -0.388 . . . . 1.0 111.091 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.665 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.665 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.793 HD12 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.416 ' HB2' HD11 ' A' 1687 ' ' LEU . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.631 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.565 HH21 ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.584 HD11 ' HB1' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.58 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.584 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.409 HD21 HG21 ' A' 1693 ' ' ILE . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.604 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.587 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.594 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.859 HG12 HG13 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.675 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' 1713 ' ' ILE . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.885 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.839 HG22 HG23 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.486 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 1.008 HD13 ' HE3' ' A' 1734 ' ' MET . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.629 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.913 HG13 HD22 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 1.008 ' HE3' HD13 ' A' 1716 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.4 ' HB2' HG12 ' A' 1709 ' ' ILE . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.497 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.573 HD11 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.82 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.478 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' 1694 ' ' SER . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.58 ' OE1' HG23 ' A' 1813 ' ' THR . 10.3 mm-40 . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 111.941 0.348 . . . . 1.0 111.941 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.445 HG23 HD22 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.544 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.477 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.764 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.913 HD22 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.589 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.761 HD21 ' HB2' ' A' 1788 ' ' GLN . 49.1 t30 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.761 ' HB2' HD21 ' A' 1785 ' ' ASN . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' 1797 ' ' GLU . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.687 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 1793 ' ' GLN . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.687 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.839 HG23 HG22 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.789 ' HB3' HD13 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.46 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.859 HG13 HG12 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.524 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.587 HG23 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo . . . . . 0 N--CA 1.466 -0.145 0 N-CA-C 110.793 -0.503 . . . . 1.0 110.793 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.791 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.617 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.83 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.542 HD21 HG13 ' A' 1746 ' ' VAL . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.47 ' HA ' ' OG ' ' A' 1750 ' ' SER . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.569 ' HG2' ' HD2' ' A' 1751 ' ' LYS . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.567 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.418 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.56 ' HE2' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.666 HD22 HD21 ' A' 1815 ' ' ASN . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.603 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.707 ' HB2' HG11 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.909 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . 0.503 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.503 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.68 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.791 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . 0.643 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.909 ' HE3' HD13 ' A' 1716 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 1732 ' ' SER . 19.9 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.457 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.705 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.73 HG23 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.467 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.569 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.523 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' 1821 ' ' ALA . 4.9 tp-100 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.732 0.301 . . . . 1.0 110.659 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.669 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . 0.541 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.705 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1668 ' ' LEU . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.734 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.727 HD22 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.405 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.693 ' HA ' HE21 ' A' 1801 ' ' GLN . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' 1798 ' ' GLU . 24.9 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.41 ' CG ' HE22 ' A' 1764 ' ' GLN . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.42 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.482 HG23 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.56 HD21 ' HE2' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.666 HD21 HD22 ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' 1757 ' ' GLN . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.557 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.9 Cg_exo . . . . . 0 N--CA 1.465 -0.167 0 N-CA-C 110.844 -0.483 . . . . 1.0 110.844 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.595 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.757 ' HG ' HG23 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' 1677 ' ' GLN . 0.0 OUTLIER -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.62 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.638 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.519 HG22 ' HE ' ' A' 1690 ' ' ARG . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.661 HD21 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' 1696 ' ' GLU . 3.4 t-80 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.545 ' O ' HG23 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.452 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.765 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.769 HG22 HG23 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' 1714 ' ' GLU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.808 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.739 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.689 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.45 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.595 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.808 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.757 HG23 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.474 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.59 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.647 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.497 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 30.0 mm-40 . . . . . 0 N--CA 1.463 0.211 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.608 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.538 HE21 ' HA ' ' A' 1810 ' ' LEU . 25.1 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' 1799 ' ' ALA . 30.0 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.566 HD11 HD22 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.566 HD22 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.417 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.689 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.3 t30 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.563 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.567 ' HA ' HG12 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . 0.543 ' HA ' HE21 ' A' 1774 ' ' GLN . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.769 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.595 ' O ' HG23 ' A' 1807 ' ' VAL . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.538 ' HA ' HE21 ' A' 1764 ' ' GLN . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1816 ' ' GLU . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1810 ' ' LEU . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.452 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' 1812 ' ' THR . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo . . . . . 0 CA--C 1.526 0.08 0 N-CA-C 111.384 -0.275 . . . . 1.0 111.384 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.436 HE22 ' HB3' ' A' 1785 ' ' ASN . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.666 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.625 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.745 ' HG ' HG23 ' A' 1742 ' ' THR . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.709 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.709 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' 1687 ' ' LEU . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.474 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.517 HD13 HD23 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.517 HD23 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' 1814 ' ' LEU . 44.8 t-80 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.607 ' O ' HG23 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.577 HD23 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.523 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.556 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.804 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.523 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.707 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.898 HG22 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.408 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.97 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.513 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' 1733 ' ' GLN . 62.4 t60 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.691 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.97 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . 0.474 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.484 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.612 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.745 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.674 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.587 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp . . . . . 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 . . . . . 0 CA--C 1.519 -0.218 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . 0.864 ' HA ' HE21 ' A' 1774 ' ' GLN . 0.0 OUTLIER -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.673 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.691 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.583 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.583 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.569 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.715 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.715 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.827 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.827 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.898 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.672 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.573 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.804 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.495 HD23 HG21 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.577 HG23 HD23 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' 1699 ' ' HIS . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.609 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo . . . . . 0 C--O 1.232 0.218 0 CA-C-O 120.961 0.317 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.742 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.807 ' HG ' HG23 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.672 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' 1698 ' ' LEU . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.44 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.752 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.743 HG22 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 25.9 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.671 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.807 HG22 HG23 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 1.035 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.422 ' CB ' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.627 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.767 HG13 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.705 ' O ' ' HG2' ' A' 1736 ' ' GLN . 47.1 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 1.035 ' HE3' HD13 ' A' 1716 ' ' LEU . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.449 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.807 HG23 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.732 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt . . . . . 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.732 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.561 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.767 HD22 HG13 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.567 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.908 HD21 ' HB2' ' A' 1788 ' ' GLN . 37.2 t30 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.908 ' HB2' HD21 ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.807 HG23 HG22 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.702 ' HB3' HD13 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.425 HG22 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.743 HG13 HG22 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.403 HG23 HD23 ' A' 1703 ' ' LEU . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.752 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.456 ' HB1' HG23 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.525 ' O ' ' HB1' ' A' 1724 ' ' ALA . 2.8 Cg_exo . . . . . 0 CA--C 1.53 0.303 0 CA-C-O 120.683 0.201 . . . . 1.0 112.171 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' 1780 ' ' LYS . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.681 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.484 HG23 HD11 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.62 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.766 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.738 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.515 ' O ' HD13 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.756 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.849 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.849 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.566 ' O ' HG23 ' A' 1706 ' ' VAL . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.604 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.585 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.826 HG12 HG13 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' 1703 ' ' LEU . 36.8 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.739 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.821 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.875 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.815 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.495 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.723 HG13 HD22 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.692 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.821 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.0 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.521 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.64 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.442 HG23 ' HB1' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 . . . . . 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.3 tt0 -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.766 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.804 HD11 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.723 HD22 HG13 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . 0.573 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.807 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.807 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.875 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.46 HE21 HG13 ' A' 1800 ' ' VAL . 33.0 mm-40 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.736 ' HB3' HD13 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.826 HG13 HG12 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.604 HG23 HD23 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.592 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1817 ' ' ALA . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.592 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo . . . . . 0 N--CA 1.461 -0.417 0 N-CA-C 111.233 -0.333 . . . . 1.0 111.233 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.807 ' HA ' HG11 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.453 HG23 HD11 ' A' 1773 ' ' LEU . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.544 HD11 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.589 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' 1687 ' ' LEU . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.464 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.464 ' H ' ' HD3' ' A' 1690 ' ' ARG . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.679 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.734 ' HA ' HE21 ' A' 1707 ' ' GLN . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.748 HG12 HG13 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.734 HE21 ' HA ' ' A' 1704 ' ' THR . 47.6 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.734 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.744 ' HB2' HG11 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.859 HG22 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 1.034 HD13 ' HE3' ' A' 1734 ' ' MET . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.697 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' 1720 ' ' ALA . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' 1736 ' ' GLN . 25.9 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 1.034 ' HE3' HD13 ' A' 1716 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1733 ' ' GLN . 7.8 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.403 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' 1736 ' ' GLN . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.739 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.535 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.595 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.62 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.276 0.56 . . . . 1.0 109.952 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.472 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . 0.472 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.595 HD22 ' HB2' ' A' 1749 ' ' ALA . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.403 HG22 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.544 ' HG3' HD11 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.816 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.785 HD22 HG13 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.463 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.572 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.618 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.697 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.837 HD21 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB2' HD21 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.859 HG23 HG22 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.773 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.748 HG13 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.62 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.679 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.8 OUTLIER -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . 0.521 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' 1724 ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.466 -0.115 0 CA-C-O 120.829 0.262 . . . . 1.0 111.799 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' 1780 ' ' LYS . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . 0.478 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.731 ' HA ' HG11 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' 1665 ' ' ILE . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.576 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.729 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . 0.541 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.819 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.819 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.55 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.502 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.544 HD11 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . 0.588 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.567 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.471 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.675 HG12 HG13 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.678 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' 1713 ' ' ILE . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.436 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.743 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' 1730 ' ' LYS . 18.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.431 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.738 HG13 HD22 ' A' 1776 ' ' LEU . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.831 ' HB2' HD11 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.482 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.588 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.584 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.688 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . 0.935 HE21 ' HA ' ' A' 1757 ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.144 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.678 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1749 ' ' ALA . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.541 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.552 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.456 ' CG ' HD11 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.507 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.649 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.738 HD22 HG13 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' 1658 ' ' GLN . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.699 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . 0.431 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.512 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.512 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.6 tp60 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.642 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.699 HG22 ' HB2' ' A' 1782 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.575 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.579 ' HA ' HG12 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.762 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.675 HG13 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1814 ' ' LEU . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.471 HG23 HD23 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.57 HG23 ' NE2' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.402 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' 1724 ' ' ALA . 14.3 Cg_exo . . . . . 0 N--CA 1.472 0.245 0 N-CA-C 113.434 0.513 . . . . 1.0 113.434 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . 0.55 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' 1780 ' ' LYS . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.543 HG23 HD11 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.746 HD12 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.746 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.728 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.615 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.591 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.615 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.58 ' O ' HG23 ' A' 1706 ' ' VAL . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.696 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.849 HG12 HG13 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.759 ' HB2' HG11 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' 1803 ' ' MET . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.516 ' HB2' HD13 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . 0.429 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.446 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.915 HE21 ' HA ' ' A' 1726 ' ' GLN . 0.0 OUTLIER -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.55 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.632 HG13 HD22 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.728 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.585 ' HA ' HH11 ' A' 1690 ' ' ARG . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.571 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 . . . . . 0 C--O 1.234 0.285 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.879 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.537 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.543 HD11 HG23 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.596 HD11 HD22 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.632 HD22 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.489 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.87 ' HB2' HD21 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . 0.405 ' HA ' ' OE1' ' A' 1794 ' ' GLU . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.805 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' 1791 ' ' HIS . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.409 HG22 ' O ' ' A' 1801 ' ' GLN . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.849 HG13 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.51 HD23 HG21 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.696 HG23 HD23 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.439 HD23 HD22 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.822 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . 0.459 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 N--CA 1.473 0.321 0 CA-C-O 120.877 0.282 . . . . 1.0 112.699 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.525 ' HG3' ' O ' ' A' 1780 ' ' LYS . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG11 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.42 HG23 HD11 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.767 HD12 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' 1667 ' ' ALA . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.767 ' SG ' HD12 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.713 ' HG ' HG23 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.458 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' 1686 ' ' GLN . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 1684 ' ' SER . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.424 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.637 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.588 HD23 HG23 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.767 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.679 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.519 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.7 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.597 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.813 ' HE3' HD13 ' A' 1716 ' ' LEU . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.545 ' CE1' HD13 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.727 ' O ' HG23 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.455 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.532 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.688 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.689 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.577 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.42 HD11 HG23 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.805 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.707 HD22 HG13 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.872 HD21 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.872 ' HB3' HD21 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.831 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.831 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.577 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.7 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.767 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.44 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.588 HG23 HD23 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.703 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . 0.637 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo . . . . . 0 CA--C 1.529 0.23 0 N-CA-C 111.486 -0.236 . . . . 1.0 111.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.794 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.589 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.715 ' HG ' HG23 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.441 HD21 HG13 ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.727 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.483 HG21 HD21 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' 1698 ' ' LEU . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.44 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.44 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.516 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.725 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.728 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' 1713 ' ' ILE . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.45 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.778 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.648 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.671 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.427 ' HB2' HE21 ' A' 1793 ' ' GLN . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.416 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' 1727 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1729 ' ' HIS . 22.5 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.897 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.715 HG23 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.727 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 1742 ' ' THR . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.695 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.718 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 . . . . . 0 N--CA 1.461 0.116 0 CA-C-O 120.625 0.25 . . . . 1.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' 1745 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.559 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.1 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.707 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.624 HD22 HG13 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.649 ' HB2' HG21 ' A' 1792 ' ' THR . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.607 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 4.6 t30 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.587 ' HB3' ' NE2' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.607 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.9 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.9 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.587 ' NE2' ' HB3' ' A' 1786 ' ' PRO . 47.3 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.692 ' HB3' HD13 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.444 HG22 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.728 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.725 HG23 HD23 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.573 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.744 0.226 . . . . 1.0 112.041 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.751 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.562 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.407 ' CD1' ' HD3' ' A' 1751 ' ' LYS . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.572 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.735 HD23 HG23 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.807 HG12 HG13 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.657 ' HB2' HG11 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.838 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.448 ' HB3' HD23 ' A' 1796 ' ' LEU . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.744 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.822 HG13 HD22 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.838 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.477 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.517 HD11 HG22 ' A' 1706 ' ' VAL . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.445 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp . . . . . 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.396 0.141 . . . . 1.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.674 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.498 HG23 HD22 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.815 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.822 HD22 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' 1788 ' ' GLN . 11.8 t30 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.475 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.53 ' H ' ' ND2' ' A' 1785 ' ' ASN . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.765 ' HB3' HD13 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.807 HG13 HG12 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.447 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.735 HG23 HD23 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.423 HD23 HD22 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.472 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.477 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo . . . . . 0 N--CA 1.462 -0.377 0 CA-C-O 120.934 0.306 . . . . 1.0 111.446 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.748 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.509 ' CB ' ' HB1' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.891 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.638 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.56 ' HA ' HD12 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . 0.638 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 5.8 t60 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.59 ' O ' HG23 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.502 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.774 HG12 HG13 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.672 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.818 HG22 HG23 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.454 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.781 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.624 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.424 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.834 HG13 HD22 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.812 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.423 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.46 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.891 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.509 ' HB1' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp . . . . . 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.498 0.19 . . . . 1.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.45 HE21 ' HB1' ' A' 1682 ' ' ALA . 17.7 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.533 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.3 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.402 HD11 HG23 ' A' 1665 ' ' ILE . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.718 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.834 HD22 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.73 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.797 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.406 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.469 ' HA ' HE21 ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.797 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' 1781 ' ' GLU . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.55 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.818 HG23 HG22 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.717 ' HB3' HD13 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.5 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.774 HG13 HG12 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.653 HD23 HG21 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.502 HG23 HD23 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.699 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.7 OUTLIER -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.3 Cg_exo . . . . . 0 N--CA 1.462 -0.372 0 N-CA-C 111.564 -0.206 . . . . 1.0 111.564 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.561 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.488 HG23 HD11 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.783 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.534 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.584 ' HA ' HD21 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.712 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.508 HD21 HG13 ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.496 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.676 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.596 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.626 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.587 HD21 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.626 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.606 ' O ' HG23 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.702 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . 0.479 ' HA ' HE21 ' A' 1707 ' ' GLN . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 1709 ' ' ILE . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.763 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1703 ' ' LEU . 48.6 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.765 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.618 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.793 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.894 HG22 HG23 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.878 HD13 ' HE3' ' A' 1734 ' ' MET . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.518 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.502 HG13 HD22 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.878 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.712 ' O ' HG23 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.449 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.712 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.46 HG23 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' 1753 ' ' LEU . 5.1 tt . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.425 ' OE1' ' HG3' ' A' 1759 ' ' MET . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . 0.425 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.484 ' HG ' ' CE2' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.502 HD22 HG13 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.561 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.413 ' HG2' HG21 ' A' 1792 ' ' THR . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.704 HD21 ' HB3' ' A' 1788 ' ' GLN . 29.9 t30 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.6 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.704 ' HB3' HD21 ' A' 1785 ' ' ASN . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . 0.486 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.894 HG23 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.738 ' HB3' HD13 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.763 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.489 HD21 ' HE1' ' A' 1702 ' ' MET . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.702 HG23 HD23 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' 1816 ' ' GLU . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.491 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 1812 ' ' THR . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo . . . . . 0 N--CA 1.462 -0.382 0 N-CA-C 111.406 -0.267 . . . . 1.0 111.406 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.58 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.784 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.546 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.92 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.92 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.556 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . 0.716 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . 0.716 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.707 ' HE3' HD21 ' A' 1814 ' ' LEU . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . 0.798 HD22 HD21 ' A' 1815 ' ' ASN . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . 0.454 ' NE2' ' HG ' ' A' 1703 ' ' LEU . 47.8 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.752 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.462 ' HB2' HG11 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.827 HG22 HG23 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.406 ' N ' ' HD2' ' A' 1715 ' ' PRO . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.409 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.812 HD22 HD11 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.566 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.414 HG13 HD22 ' A' 1776 ' ' LEU . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.69 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.895 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.452 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.614 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.784 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.563 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.47 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.811 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . 0.509 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . 0.59 HG23 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp . . . . . 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 . . . . . 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . 0.52 HE21 ' HB ' ' A' 1752 ' ' THR . 1.8 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.614 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.812 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . 0.414 HD22 HG13 ' A' 1731 ' ' VAL . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . 0.513 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . 0.447 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.8 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.78 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.78 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.827 HG23 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.743 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . 0.476 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.517 HD23 HG21 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.669 HG23 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.707 HD21 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . 0.798 HD21 HD22 ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . 0.59 ' HB1' HG23 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.15 -0.38 . . . . 1.0 112.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.461 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.2 148.39 14.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 122.603 -0.351 . . . . 1.0 110.092 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.95 98.19 14.87 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.992 0.425 . . . . 1.0 110.187 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.461 ' HD3' ' O ' ' A' 1650 ' ' ILE . 95.8 Cg_endo -90.44 -0.5 5.3 Favored 'Trans proline' 0 N--CA 1.45 -1.046 0 C-N-CA 122.717 2.278 . . . . 1.0 111.785 177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.615 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.5 m-85 -102.18 -90.68 0.35 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 119.141 -0.457 . . . . 1.0 111.062 -176.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.615 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.3 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 113.316 0.858 . . . . 1.0 113.316 -175.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.17 159.85 31.55 Favored Pre-proline 0 C--N 1.322 -0.622 0 C-N-CA 119.814 -0.755 . . . . 1.0 112.234 -173.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 16.0 Cg_exo -68.9 144.89 60.27 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 122.512 2.142 . . . . 1.0 110.376 166.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.5 -39.78 2.78 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.167 -1.016 . . . . 1.0 111.57 -175.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.483 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.47 -43.37 62.13 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.156 0.503 . . . . 1.0 110.085 173.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.1 tp -62.19 -56.24 20.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.56 -0.746 . . . . 1.0 111.094 175.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.03 -38.41 79.23 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.902 -0.59 . . . . 1.0 111.959 -173.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' 1665 ' ' ILE . 81.1 m -67.67 -42.68 81.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.976 -177.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.804 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 34.4 tt0 -72.94 -34.71 66.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.726 0.298 . . . . 1.0 110.746 -176.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.2 p -68.75 -36.77 78.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.993 0.425 . . . . 1.0 110.548 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.49 -35.22 65.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.563 176.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' 1777 ' ' TYR . 11.8 mt -55.89 -39.89 59.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.737 175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.92 -39.5 94.75 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.463 . . . . 1.0 111.265 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.09 -46.51 42.41 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.329 0.585 . . . . 1.0 110.684 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.697 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.2 tp -64.01 -37.42 87.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.291 -0.868 . . . . 1.0 110.338 -178.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.6 t-20 -60.94 -39.14 88.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.421 0.629 . . . . 1.0 109.471 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.8 t -64.22 -38.12 89.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.098 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.697 ' SG ' HD12 ' A' 1668 ' ' LEU . 14.0 p -74.67 -27.59 60.48 Favored 'General case' 0 N--CA 1.461 0.081 0 C-N-CA 120.479 -0.489 . . . . 1.0 110.472 -178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.594 HD11 ' HG3' ' A' 1770 ' ' GLU . 1.5 mm? -62.07 -45.49 93.32 Favored 'General case' 0 CA--C 1.518 -0.265 0 CA-C-O 120.894 0.378 . . . . 1.0 110.285 174.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.17 -40.94 97.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.551 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.48 -48.23 82.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.336 179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.708 ' HG ' HG23 ' A' 1742 ' ' THR . 40.8 mt -64.28 -42.4 96.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.591 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.78 -40.2 96.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.781 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -73.56 -28.72 62.01 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.579 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.31 76.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.053 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.483 ' HA ' HD21 ' A' 1762 ' ' LEU . 22.9 t -61.11 -35.13 76.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.82 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.482 ' O ' HG12 ' A' 1683 ' ' VAL . 43.2 tp -73.61 -38.94 64.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.185 0.517 . . . . 1.0 110.953 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.514 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -74.91 -46.37 36.4 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.187 -179.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.46 70.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.778 0.323 . . . . 1.0 111.62 -176.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.482 HG12 ' O ' ' A' 1680 ' ' LEU . 9.5 p -77.4 -11.67 13.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.16 0.505 . . . . 1.0 110.481 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.667 ' HB3' HE21 ' A' 1686 ' ' GLN . 20.1 t -124.53 14.81 8.83 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.448 -177.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 60.36 29.86 19.35 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.921 -0.581 . . . . 1.0 111.867 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.667 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.41 15.04 30.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.854 0.359 . . . . 1.0 110.926 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.644 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.19 140.44 49.79 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.819 -0.437 . . . . 1.0 109.819 -176.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -85.64 140.0 35.68 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.564 -0.289 . . . . 1.0 110.935 177.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 46.1 Cg_exo -56.35 110.72 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.113 2.542 . . . . 1.0 112.918 -177.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 1.001 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.5 ppt_? 41.09 -172.22 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.693 1.368 . . . . 1.0 114.693 -176.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.556 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.39 -47.76 4.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.797 -0.638 . . . . 1.0 110.222 176.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.547 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.55 69.19 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.793 -0.523 . . . . 1.0 111.793 177.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.5 tt -164.76 156.46 1.69 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 O-C-N 122.836 -0.214 . . . . 1.0 110.614 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.473 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.3 p -87.99 -175.29 5.04 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 120.721 0.296 . . . . 1.0 111.202 178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -77.16 -50.37 13.12 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 -173.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -25.61 60.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.952 0.405 . . . . 1.0 110.397 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.16 -25.02 63.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.451 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.6 mt -61.56 -50.19 73.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.118 0.485 . . . . 1.0 109.707 173.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.437 ' NE2' ' HA ' ' A' 1815 ' ' ASN . 6.8 t-160 -55.48 -38.96 69.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.407 -0.815 . . . . 1.0 109.943 174.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -65.93 -58.53 5.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.629 0.252 . . . . 1.0 110.999 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . 0.466 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.13 78.98 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.661 -174.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.575 ' O ' HG23 ' A' 1706 ' ' VAL . 70.2 mtp -66.76 -50.55 62.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.101 -174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.754 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.5 tm? -61.27 -44.13 97.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.635 -0.257 . . . . 1.0 110.781 -177.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 44.6 m -59.68 -41.76 91.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 1.0 110.66 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.79 -50.26 65.33 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.967 178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.621 HG12 HG13 ' A' 1807 ' ' VAL . 96.8 t -54.32 -47.69 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-N 116.085 -0.507 . . . . 1.0 111.716 -176.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.16 -49.71 71.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.396 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.29 -27.14 65.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.599 -178.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 77.5 mt -63.36 -57.87 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 172.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.2 t -53.18 -40.28 64.27 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.306 0.574 . . . . 1.0 110.292 178.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.29 -41.16 65.33 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.866 -1.061 . . . . 1.0 110.766 178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.849 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.93 -17.47 25.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.816 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.725 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.64 -44.65 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.591 0.234 . . . . 1.0 110.738 -177.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.407 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.1 mt-10 -62.43 -54.29 50.07 Favored Pre-proline 0 CA--C 1.54 0.581 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.604 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.428 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.29 -26.78 83.47 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 122.128 1.885 . . . . 1.0 112.83 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.843 HD22 HD11 ' A' 1775 ' ' LEU . 6.7 tt -73.1 -41.7 63.76 Favored 'General case' 0 C--O 1.223 -0.328 0 C-N-CA 120.45 -0.5 . . . . 1.0 109.741 177.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.2 82.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 1.0 110.322 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.71 -36.56 83.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.629 176.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.82 -43.67 53.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.912 -0.585 . . . . 1.0 111.642 -177.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -58.56 -34.32 70.92 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.098 -0.501 . . . . 1.0 111.564 -176.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -86.1 -14.34 44.55 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.489 0.551 . . . . 1.0 112.489 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.56 -53.08 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 113.53 0.937 . . . . 1.0 113.53 -172.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.733 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.0 mt-10 -71.3 85.57 0.79 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.465 0.174 . . . . 1.0 111.109 -177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.608 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.06 -47.65 67.72 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.071 0.463 . . . . 1.0 111.429 -176.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.7 p -73.55 -18.21 61.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.097 0.475 . . . . 1.0 111.157 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.733 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.4 mt-30 -96.23 -31.9 12.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.832 -0.622 . . . . 1.0 109.886 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' 1731 ' ' VAL . 26.0 tp -51.73 -49.49 62.44 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.066 -0.97 . . . . 1.0 111.785 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.97 56.97 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.982 -0.628 . . . . 1.0 112.388 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.3 m80 -66.96 -37.2 83.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 1.0 110.832 178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.491 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.6 mmtp -69.49 -42.8 74.31 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.284 -0.635 . . . . 1.0 109.284 179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' 1727 ' ' LEU . 95.7 t -59.69 -44.42 93.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-N 115.45 -0.796 . . . . 1.0 110.973 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.6 m -53.4 -43.81 68.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.484 177.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.56 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.6 -46.66 65.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.398 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.849 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.2 -43.43 98.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.723 0.297 . . . . 1.0 111.427 -174.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -35.83 77.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.043 0.449 . . . . 1.0 111.278 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.56 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.96 -35.57 74.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.985 -0.552 . . . . 1.0 111.644 -174.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -71.19 -28.36 64.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.753 0.311 . . . . 1.0 111.541 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.536 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.55 -23.22 60.95 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.151 0.426 . . . . 1.0 112.151 -177.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.4 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.14 -58.16 17.44 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.55 -0.46 . . . . 1.0 111.366 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.8 Cg_endo -59.53 -34.06 96.97 Favored 'Trans proline' 0 C--N 1.36 1.18 0 C-N-CA 121.671 1.581 . . . . 1.0 112.114 176.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.18 -48.04 81.55 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 120.93 -0.308 . . . . 1.0 110.695 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.708 HG23 ' HG ' ' A' 1675 ' ' LEU . 79.0 m -56.21 -55.5 32.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.804 -0.635 . . . . 1.0 110.246 174.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.556 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.71 -48.56 74.95 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.04 0.448 . . . . 1.0 111.143 -179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.466 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.56 -41.08 96.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.133 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.86 -44.79 84.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.506 -0.316 . . . . 1.0 110.893 179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' 1742 ' ' THR . 43.1 t -63.78 -34.44 68.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.213 0.53 . . . . 1.0 109.574 176.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 1.001 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.76 -56.0 27.33 Favored Glycine 0 N--CA 1.441 -0.973 0 CA-C-N 115.722 -0.672 . . . . 1.0 111.97 172.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.681 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.44 -36.44 71.4 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.335 0.254 . . . . 1.0 111.096 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.497 ' CB ' HD22 ' A' 1762 ' ' LEU . . . -53.28 -57.86 9.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.279 0.561 . . . . 1.0 111.776 177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.644 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.8 t -82.51 -22.77 34.92 Favored 'General case' 0 C--N 1.313 -1.02 0 C-N-CA 120.481 -0.488 . . . . 1.0 111.7 -173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.5 tttp -91.42 -40.78 11.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.685 -172.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.442 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 95.7 m -80.57 108.86 14.56 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.214 0.531 . . . . 1.0 111.229 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 22.3 tp -114.89 26.03 10.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.817 0.818 . . . . 1.0 109.075 176.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 11.2 m -81.63 -64.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.44 -177.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.524 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 55.6 m80 -146.2 172.51 5.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.015 -0.735 . . . . 1.0 109.015 -172.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.524 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 60.0 Cg_exo -54.2 -10.37 2.02 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.881 2.387 . . . . 1.0 112.923 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.537 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 12.8 mm-40 -48.63 -36.53 16.05 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.401 0.68 . . . . 1.0 110.994 174.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.442 ' HB2' ' HB ' ' A' 1752 ' ' THR . 0.6 OUTLIER -56.37 -57.61 11.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.428 -0.805 . . . . 1.0 111.287 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 18.9 mmt -73.07 -29.87 63.28 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.881 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.519 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -61.64 -53.88 50.3 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.001 -178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.681 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -73.29 -28.24 62.0 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.269 -0.573 . . . . 1.0 110.266 -177.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.497 HD22 ' CB ' ' A' 1749 ' ' ALA . 61.4 tp -61.34 -47.77 84.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.244 0.545 . . . . 1.0 109.96 175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.44 -42.76 71.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.164 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.528 ' OE1' ' HA ' ' A' 1810 ' ' LEU . 91.8 mt-30 -62.08 -39.61 93.0 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.69 0.256 . . . . 1.0 111.69 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 59.2 m -59.88 -41.65 92.03 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.275 0.56 . . . . 1.0 109.529 176.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 52.7 tttm -67.63 -42.0 83.02 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.56 177.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 41.7 m -58.0 -46.79 84.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.619 174.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.515 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 52.1 tp -65.16 -36.98 85.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.311 178.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.9 97.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.361 -0.381 . . . . 1.0 110.721 177.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.594 ' HG3' HD11 ' A' 1672 ' ' LEU . 44.8 mt-10 -65.83 -37.35 86.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.872 0.368 . . . . 1.0 110.309 175.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.6 m -60.75 -45.14 95.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.005 175.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.472 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -68.83 -34.38 75.39 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.847 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.486 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 22.4 tp -65.77 -47.8 73.99 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -59.57 -36.41 76.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.214 0.53 . . . . 1.0 109.8 174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.843 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -64.22 -53.48 48.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.357 -0.838 . . . . 1.0 110.117 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 74.5 mt -61.76 -36.11 80.09 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.661 0.267 . . . . 1.0 111.105 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.486 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 6.1 m-85 -59.41 -51.36 70.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.738 0.304 . . . . 1.0 111.191 176.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.6 p -70.83 -33.3 70.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.17 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.83 71.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.066 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.804 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 23.5 ttpt -67.9 -37.52 81.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.259 0.552 . . . . 1.0 110.203 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.625 ' HB2' HG21 ' A' 1792 ' ' THR . 75.5 mt-10 -73.22 -53.83 9.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.51 -0.768 . . . . 1.0 111.427 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.14 -14.52 55.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.605 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.07 0.03 OUTLIER Glycine 0 C--N 1.33 0.207 0 O-C-N 123.93 0.769 . . . . 1.0 114.639 -168.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.608 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.68 1.59 72.41 Favored Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.294 -0.453 . . . . 1.0 112.936 175.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -139.75 95.4 8.8 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 120.85 0.357 . . . . 1.0 111.165 -175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -71.32 -15.43 31.43 Favored 'Trans proline' 0 CA--C 1.533 0.472 0 C-N-CA 122.744 2.296 . . . . 1.0 112.449 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.52 -61.43 1.83 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -172.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.59 25.06 0.44 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.27 0.557 . . . . 1.0 110.661 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.823 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.27 35.12 1.08 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.386 -176.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.71 -50.02 66.82 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.778 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -82.15 -24.16 35.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.94 0.4 . . . . 1.0 110.177 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.823 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 21.9 m -64.02 -27.76 69.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.89 -0.596 . . . . 1.0 109.836 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.99 -38.35 72.91 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.54 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -73.94 -44.81 53.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.656 -178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.49 -31.32 65.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.666 -176.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.0 tp -63.15 -27.62 69.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.182 0.515 . . . . 1.0 109.794 175.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' 1793 ' ' GLN . 38.7 mm-40 -77.43 -41.79 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.983 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -62.16 -40.23 95.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.351 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.14 -46.83 72.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.872 -0.604 . . . . 1.0 112.06 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.66 HG23 HG22 ' A' 1713 ' ' ILE . 12.0 p -62.99 -36.91 77.8 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 CA-C-O 120.863 0.364 . . . . 1.0 110.966 -178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -77.28 -26.78 52.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.854 0.359 . . . . 1.0 110.552 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 26.5 ttt -66.31 -39.87 89.6 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.698 ' HB3' HD13 ' A' 1713 ' ' ILE . 49.9 mtp -63.48 -53.65 48.76 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.296 178.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 6.4 t -58.88 -29.12 66.76 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.859 0.361 . . . . 1.0 110.702 -175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -66.47 -53.02 40.04 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.994 -0.548 . . . . 1.0 110.132 176.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -66.92 -27.87 67.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.855 179.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.621 HG13 HG12 ' A' 1706 ' ' VAL . 42.6 t -58.34 -54.88 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.596 175.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.44 -38.0 88.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.176 0.512 . . . . 1.0 110.126 177.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.9 t0 -63.34 -55.08 27.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.201 -0.909 . . . . 1.0 111.19 -175.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.528 ' HA ' ' OE1' ' A' 1764 ' ' GLN . 27.0 tp -62.6 -42.64 99.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.422 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 25.7 m -56.57 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.667 -0.697 . . . . 1.0 111.407 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' 1816 ' ' GLU . 85.8 m -55.55 -56.2 23.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.717 0.294 . . . . 1.0 110.805 176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.402 HG23 ' OE1' ' A' 1757 ' ' GLN . 10.7 m -59.22 -43.23 92.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.807 -178.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -61.14 -49.03 78.92 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.094 0.473 . . . . 1.0 111.695 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.754 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -69.07 -37.14 78.33 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.844 -0.616 . . . . 1.0 111.234 -175.035 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.3 mm-40 -72.49 -32.81 66.49 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.474 -0.565 . . . . 1.0 109.474 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.77 -17.3 8.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.286 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.77 -49.67 57.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 1.0 110.215 173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 50.7 m -106.46 -17.03 14.39 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.364 175.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.84 -16.19 42.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.401 . . . . 1.0 111.707 -177.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.24 -30.11 2.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.424 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.585 -1.119 . . . . 1.0 111.936 177.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.199 -0.36 . . . . 1.0 112.199 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 42.2 pt -114.35 159.48 14.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.179 -0.304 . . . . 1.0 110.179 177.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' 1652 ' ' PRO . 40.3 m-20 -84.81 114.48 55.8 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.478 ' HG2' ' HE3' ' A' 1780 ' ' LYS . 8.1 Cg_exo -71.29 -22.31 25.58 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.559 2.173 . . . . 1.0 111.137 178.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.543 ' O ' ' HG2' ' A' 1658 ' ' GLN . 93.6 m-85 -128.39 145.18 51.16 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.037 -1.098 . . . . 1.0 108.037 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.4 t -85.3 95.59 9.26 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-O 121.445 0.64 . . . . 1.0 112.201 -172.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.46 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -175.28 159.57 2.17 Favored Pre-proline 0 C--O 1.237 0.415 0 CA-C-N 115.039 -0.982 . . . . 1.0 110.209 177.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.1 109.52 2.84 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.8 2.333 . . . . 1.0 111.419 169.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.84 -35.74 1.37 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.511 -0.852 . . . . 1.0 111.874 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.543 ' HG2' ' O ' ' A' 1653 ' ' PHE . 11.6 mp0 -45.83 -50.9 13.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.272 0.629 . . . . 1.0 111.417 176.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.87 -49.66 76.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.006 -0.543 . . . . 1.0 111.27 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -61.16 -31.0 70.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.158 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.521 ' HA ' HG11 ' A' 1731 ' ' VAL . 60.4 m -76.07 -45.63 33.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.398 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.779 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 27.4 tt0 -66.05 -39.07 89.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.512 -0.313 . . . . 1.0 111.097 -176.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 10.5 t -69.69 -35.33 75.01 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.776 0.322 . . . . 1.0 110.574 178.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.28 -35.86 71.49 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.856 0.36 . . . . 1.0 110.274 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.51 HD11 ' HA ' ' A' 1777 ' ' TYR . 45.0 mt -56.03 -43.92 76.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.752 176.045 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.84 -37.18 86.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.293 . . . . 1.0 111.249 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -75.91 -43.1 46.79 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.223 0.535 . . . . 1.0 110.669 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.581 HD23 ' HA ' ' A' 1773 ' ' LEU . 30.0 tp -63.28 -39.13 93.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.513 -0.767 . . . . 1.0 109.508 177.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.436 ' O ' ' HG3' ' A' 1673 ' ' ARG . 13.9 t-20 -58.55 -36.42 73.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.591 -0.732 . . . . 1.0 110.102 177.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' 1667 ' ' ALA . 32.7 t -64.18 -40.5 96.23 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.183 -0.917 . . . . 1.0 111.21 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.448 ' SG ' HD12 ' A' 1668 ' ' LEU . 8.6 p -70.92 -28.54 64.58 Favored 'General case' 0 C--N 1.334 -0.069 0 C-N-CA 120.295 -0.562 . . . . 1.0 109.923 -177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.606 HD12 ' HG3' ' A' 1766 ' ' LYS . 0.9 OUTLIER -63.45 -39.78 95.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.885 174.426 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' 1669 ' ' ASN . 18.5 mtm180 -66.94 -38.29 85.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.202 0.525 . . . . 1.0 109.971 178.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.43 -37.98 74.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.452 -178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.751 ' HG ' HG23 ' A' 1742 ' ' THR . 61.3 mt -66.51 -36.43 82.7 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.993 176.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -59.09 -45.92 89.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.379 0.609 . . . . 1.0 110.421 177.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -68.59 -29.58 68.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.338 -0.846 . . . . 1.0 110.411 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.44 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -63.31 -51.62 65.26 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.328 176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.6 t -60.63 -43.55 97.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.78 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 54.8 tp -63.1 -38.79 92.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.345 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.691 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.36 -44.86 20.7 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.853 -0.339 . . . . 1.0 111.255 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.54 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -63.12 -34.42 77.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.836 0.31 . . . . 1.0 111.836 -176.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 10.6 p -63.71 -20.81 27.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-O 120.938 0.399 . . . . 1.0 111.09 -178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.478 ' HB2' HE21 ' A' 1686 ' ' GLN . 9.1 m -119.81 14.35 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.216 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 50.44 57.91 6.08 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.76 -0.655 . . . . 1.0 112.284 -175.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.478 HE21 ' HB2' ' A' 1684 ' ' SER . 46.0 mt-30 -117.81 14.12 14.24 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.454 -0.794 . . . . 1.0 109.354 174.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.986 HD12 ' HB2' ' A' 1750 ' ' SER . 0.5 OUTLIER -92.75 126.06 37.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.516 -0.765 . . . . 1.0 109.858 -175.556 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -74.99 139.93 73.45 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.27 97.89 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.324 2.683 . . . . 1.0 114.217 -172.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' 1693 ' ' ILE . 4.3 ppt_? 45.3 -172.52 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.185 1.394 . . . . 1.0 114.73 173.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.472 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.88 -48.06 3.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.698 178.716 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -171.92 43.38 0.18 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.041 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.535 ' H ' ' HD3' ' A' 1690 ' ' ARG . 9.3 tp -133.05 148.2 31.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 120.603 0.24 . . . . 1.0 110.421 -176.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 13.5 m -86.43 179.6 6.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.322 -0.251 . . . . 1.0 110.322 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.55 ' O ' ' HB2' ' A' 1698 ' ' LEU . 66.9 tp60 -75.53 -55.55 5.56 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.721 0.267 . . . . 1.0 111.721 -173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -24.11 65.32 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 1.0 109.563 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.61 -24.42 61.88 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.793 175.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' 1695 ' ' GLN . 18.4 mt -63.67 -47.97 79.1 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 120.628 0.251 . . . . 1.0 110.622 175.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 2.8 t-160 -49.06 -53.39 20.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.844 -0.617 . . . . 1.0 109.45 173.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 76.9 m -60.54 -49.64 76.73 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.573 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -56.5 17.22 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.108 0.48 . . . . 1.0 111.25 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.592 ' O ' HG23 ' A' 1706 ' ' VAL . 79.9 mtp -71.99 -48.54 44.18 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.727 -0.67 . . . . 1.0 111.541 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.697 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.81 -48.43 75.42 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 122.998 0.186 . . . . 1.0 110.742 -178.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 26.5 m -61.09 -42.95 99.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.767 0.318 . . . . 1.0 111.264 -178.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.628 ' O ' HG13 ' A' 1709 ' ' ILE . . . -64.87 -45.1 87.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.032 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.865 HG12 HG13 ' A' 1807 ' ' VAL . 86.8 t -62.95 -40.78 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.097 0.475 . . . . 1.0 110.357 -176.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.435 ' HG3' ' O ' ' A' 1703 ' ' LEU . 26.8 mt-30 -61.01 -49.74 76.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.592 -0.731 . . . . 1.0 110.605 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . 0.413 ' O ' ' HB3' ' A' 1711 ' ' HIS . 56.3 mm-40 -64.79 -27.82 69.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.703 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.698 ' O ' HG13 ' A' 1713 ' ' ILE . 86.0 mt -66.42 -55.25 19.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.649 -0.5 . . . . 1.0 109.649 173.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.47 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.5 t -54.46 -39.04 67.05 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.198 0.523 . . . . 1.0 109.962 178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . 0.413 ' HB3' ' O ' ' A' 1708 ' ' GLU . 23.5 t-160 -50.14 -44.69 52.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.83 -1.077 . . . . 1.0 110.745 176.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.773 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -92.99 -17.19 24.2 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 112.287 0.477 . . . . 1.0 112.287 -177.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 61.1 mt -60.45 -46.83 94.67 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 122.292 -0.255 . . . . 1.0 110.819 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.455 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 42.1 mt-10 -58.14 -58.23 20.29 Favored Pre-proline 0 CA--C 1.538 0.481 0 CA-C-N 116.504 -0.316 . . . . 1.0 111.19 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.455 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 16.0 Cg_endo -57.76 -36.39 98.39 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 122.302 2.001 . . . . 1.0 112.761 178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.855 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -64.22 -46.53 83.43 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 110.102 -0.332 . . . . 1.0 110.102 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.37 83.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.003 0.43 . . . . 1.0 110.947 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 15.4 t -71.26 -42.89 68.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.36 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.437 ' HA ' ' OE1' ' A' 1723 ' ' GLU . . . -64.79 -49.8 69.25 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.994 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -52.79 -43.36 65.83 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -73.22 -12.89 61.03 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.7 0.63 . . . . 1.0 112.7 -171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -144.65 -49.2 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.558 0.577 . . . . 1.0 112.558 -174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.437 ' OE1' ' HA ' ' A' 1719 ' ' ALA . 3.6 mp0 -80.64 173.85 12.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.748 0.309 . . . . 1.0 110.502 177.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.578 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -147.4 -57.34 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.482 -0.327 . . . . 1.0 110.988 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.5 m -65.0 -15.82 62.74 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 120.941 0.401 . . . . 1.0 111.295 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.466 ' O ' ' HE2' ' A' 1730 ' ' LYS . 25.4 mt-30 -94.55 -30.51 14.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.653 0.739 . . . . 1.0 109.47 175.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 3.6 tp -63.43 -45.59 90.24 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.625 -1.171 . . . . 1.0 112.303 -176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.69 -37.14 26.81 Favored Glycine 0 CA--C 1.52 0.389 0 CA-C-N 115.962 -0.563 . . . . 1.0 112.9 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.426 ' O ' ' HG3' ' A' 1733 ' ' GLN . 89.3 m-70 -71.62 -27.02 62.82 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.648 0.24 . . . . 1.0 111.648 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.466 ' HE2' ' O ' ' A' 1726 ' ' GLN . 53.1 mmtt -71.61 -42.1 68.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.251 0.548 . . . . 1.0 109.677 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.662 HG13 HD22 ' A' 1776 ' ' LEU . 56.1 t -60.25 -45.23 96.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 115.171 -0.922 . . . . 1.0 110.671 -178.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 8.3 m -55.94 -41.46 74.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.637 178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.699 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.0 mt-30 -67.84 -47.12 69.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.781 -0.645 . . . . 1.0 111.42 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.855 ' HE3' HD13 ' A' 1716 ' ' LEU . 57.5 ttm -62.99 -42.8 99.94 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 1.0 111.149 -174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.15 -29.76 67.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.449 -175.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.699 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.6 pt20 -72.25 -30.21 64.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.365 -0.38 . . . . 1.0 111.249 -174.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -77.45 -30.54 53.37 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.933 0.397 . . . . 1.0 111.307 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.6 m-85 -71.53 -23.36 61.76 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.115 0.413 . . . . 1.0 112.115 -176.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.407 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 41.1 tt0 -64.29 -58.21 14.87 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.708 -0.397 . . . . 1.0 111.123 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.407 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.3 Cg_endo -59.23 -38.22 86.95 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.655 1.57 . . . . 1.0 112.078 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1741 ' ' LEU . 10.0 mt -55.26 -48.95 73.26 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-O 120.762 0.315 . . . . 1.0 110.984 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.751 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.8 m -55.09 -55.93 25.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.75 176.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.472 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 61.8 mt -64.53 -35.45 81.02 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.797 0.332 . . . . 1.0 111.355 -177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.87 -42.37 85.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.297 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.36 -40.89 94.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.801 177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.777 HG12 HD11 ' A' 1687 ' ' LEU . 45.7 t -62.31 -40.59 88.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.722 -0.473 . . . . 1.0 109.722 175.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.664 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -58.56 -48.72 82.88 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.877 -0.678 . . . . 1.0 111.568 174.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.539 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -58.21 -35.91 72.35 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 122.446 0.298 . . . . 1.0 111.28 177.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -58.01 -36.8 73.19 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.271 0.558 . . . . 1.0 111.101 176.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.986 ' HB2' HD12 ' A' 1687 ' ' LEU . 37.9 t -83.17 -55.73 4.18 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.452 -176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.664 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.82 -10.42 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.279 1.215 . . . . 1.0 114.279 -166.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 38.3 m -84.76 109.56 18.15 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.16 -0.616 . . . . 1.0 109.6 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 75.5 mt -73.2 -24.94 60.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.674 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 4.1 m -68.51 89.75 0.37 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.937 -0.574 . . . . 1.0 109.835 175.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.439 ' N ' ' HD2' ' A' 1756 ' ' PRO . 79.2 m80 -54.13 -54.61 45.57 Favored Pre-proline 0 N--CA 1.467 0.386 0 N-CA-C 113.362 0.875 . . . . 1.0 113.362 -170.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' 1755 ' ' HIS . 27.7 Cg_endo -62.43 -19.33 67.08 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 121.976 1.784 . . . . 1.0 113.187 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -96.06 -39.91 9.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.243 0.544 . . . . 1.0 109.751 178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.79 -57.3 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.952 -1.022 . . . . 1.0 110.58 174.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 81.0 mtp -70.31 -29.69 66.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.62 -0.718 . . . . 1.0 110.92 -178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.24 -55.19 23.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 120.837 -0.345 . . . . 1.0 111.155 -176.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.539 HD11 ' CB ' ' A' 1748 ' ' ALA . 4.6 pp -71.85 -28.6 63.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.174 0.511 . . . . 1.0 110.006 -176.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1749 ' ' ALA . 57.2 tp -58.81 -53.64 56.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.725 -0.671 . . . . 1.0 109.966 173.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.92 -37.08 81.22 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.476 -0.784 . . . . 1.0 111.309 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' 1760 ' ' ALA . 50.9 mt-30 -67.95 -35.92 79.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.684 -0.234 . . . . 1.0 111.537 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 79.2 m -61.53 -40.8 95.98 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 174.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.606 ' HG3' HD12 ' A' 1672 ' ' LEU . 58.8 tttm -66.01 -42.85 89.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.28 -0.873 . . . . 1.0 110.43 176.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -55.49 -49.73 71.78 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.703 174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.476 HD13 ' HB3' ' A' 1806 ' ' ALA . 54.2 tp -65.31 -35.02 79.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.646 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.27 84.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.484 -0.325 . . . . 1.0 111.162 178.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.535 ' HG3' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -69.36 -33.11 72.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 1.0 110.242 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 29.7 t -63.02 -45.82 90.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.887 -0.597 . . . . 1.0 109.641 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.455 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -64.94 -34.41 78.34 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.751 176.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.581 ' HA ' HD23 ' A' 1668 ' ' LEU . 21.0 tp -65.5 -46.35 80.02 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 178.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -60.75 -36.29 78.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.085 0.469 . . . . 1.0 109.77 174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.742 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -62.96 -52.03 64.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.62 -0.718 . . . . 1.0 109.728 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.662 HD22 HG13 ' A' 1731 ' ' VAL . 56.6 mt -61.87 -35.8 79.37 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.985 -0.286 . . . . 1.0 110.931 177.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.519 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 11.0 m-85 -60.11 -52.06 66.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.939 0.4 . . . . 1.0 110.868 175.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 16.5 p -70.2 -36.86 74.89 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.228 -177.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.73 -27.36 67.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.531 -0.304 . . . . 1.0 110.716 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.779 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 32.7 ttpt -68.59 -42.39 78.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.297 0.57 . . . . 1.0 110.06 177.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' 1792 ' ' THR . 42.4 mt-10 -76.12 -47.37 24.66 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.443 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.435 ' HB2' HG22 ' A' 1792 ' ' THR . . . -83.07 -18.3 40.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.204 0.446 . . . . 1.0 112.204 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -54.12 96.35 0.03 OUTLIER Glycine 0 C--N 1.332 0.306 0 O-C-N 123.839 0.712 . . . . 1.0 114.143 -171.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.25 13.5 73.47 Favored Glycine 0 CA--C 1.509 -0.299 0 N-CA-C 111.204 -0.759 . . . . 1.0 111.204 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.626 HD21 ' HB2' ' A' 1788 ' ' GLN . 10.2 t30 -130.85 80.09 70.34 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 114.825 -0.688 . . . . 1.0 109.456 -175.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -86.62 -12.72 5.25 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.964 2.443 . . . . 1.0 112.955 -175.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -95.68 -52.02 4.27 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.117 -175.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.626 ' HB2' HD21 ' A' 1785 ' ' ASN . 14.6 mm100 -77.38 17.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 1.0 111.453 -177.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.769 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -132.8 124.49 28.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.486 -0.325 . . . . 1.0 110.168 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -116.02 -69.64 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.324 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.22 -24.54 65.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.017 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.784 HG21 ' HB2' ' A' 1781 ' ' GLU . 73.2 m -64.28 -37.65 88.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.527 179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -61.4 -47.42 85.85 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.817 -0.628 . . . . 1.0 110.312 179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -65.3 -41.41 94.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.486 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.78 -29.98 61.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.709 -0.678 . . . . 1.0 112.139 -175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 58.1 tp -63.46 -25.74 68.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.112 0.482 . . . . 1.0 109.861 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' 1801 ' ' GLN . 6.5 mm-40 -75.49 -46.94 29.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 1.0 109.731 177.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -62.22 -34.67 76.93 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.612 -0.722 . . . . 1.0 110.523 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.09 -49.29 70.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.115 -0.493 . . . . 1.0 111.483 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.679 HG23 HG22 ' A' 1713 ' ' ILE . 14.5 p -64.9 -37.44 80.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 C-N-CA 120.957 -0.297 . . . . 1.0 110.774 -178.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' 1797 ' ' GLU . 16.5 mm-40 -68.54 -43.77 75.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.225 177.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.5 ttt -58.8 -50.18 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.757 -0.656 . . . . 1.0 110.754 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 67.5 mtp -59.74 -53.27 59.93 Favored 'General case' 0 CA--C 1.511 -0.543 0 C-N-CA 121.061 -0.255 . . . . 1.0 110.889 178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 87.6 m -53.99 -43.54 70.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.041 0.448 . . . . 1.0 111.686 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -72.36 -30.88 65.12 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.422 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.476 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.26 -27.37 53.19 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.11 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.865 HG13 HG12 ' A' 1706 ' ' VAL . 44.1 t -57.89 -50.6 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.256 -0.883 . . . . 1.0 110.179 174.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -64.28 -38.67 91.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.398 0.618 . . . . 1.0 109.531 175.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 37.7 t70 -58.97 -58.06 10.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 114.831 -1.077 . . . . 1.0 111.609 -175.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.54 HD23 HG21 ' A' 1706 ' ' VAL . 29.9 tp -63.36 -45.25 92.04 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.912 0.386 . . . . 1.0 110.527 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.697 HG23 HD23 ' A' 1703 ' ' LEU . 29.2 m -54.08 -37.45 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.47 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' 1816 ' ' GLU . 81.5 m -57.49 -53.65 55.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.686 -0.234 . . . . 1.0 110.862 178.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.7 m -60.0 -40.76 90.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.005 0.431 . . . . 1.0 110.834 -179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.457 HD23 HD22 ' A' 1761 ' ' LEU . 98.6 mt -64.76 -44.23 90.73 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.61 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.562 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.9 OUTLIER -73.88 -23.94 59.66 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.846 -0.615 . . . . 1.0 111.275 -177.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' 1812 ' ' THR . 48.0 mt-10 -77.95 -33.97 51.34 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 108.512 -0.921 . . . . 1.0 108.512 174.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.962 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.41 -15.41 10.62 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.427 -0.806 . . . . 1.0 112.016 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.93 -56.54 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.758 0.313 . . . . 1.0 110.167 174.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.0 m -91.02 -20.57 21.95 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.971 0.415 . . . . 1.0 110.64 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.962 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -73.03 -50.42 23.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 1.0 111.871 -177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.4 -25.47 13.26 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.042 0.386 . . . . 1.0 112.042 -173.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.584 -1.12 . . . . 1.0 112.202 -177.08 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.633 0 N-CA-C 112.297 -0.321 . . . . 1.0 112.297 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.89 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.31 -156.61 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 110.154 -0.313 . . . . 1.0 110.154 178.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -81.98 108.82 12.49 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.277 0.56 . . . . 1.0 110.004 175.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.721 ' HB2' ' HG3' ' A' 1788 ' ' GLN . 64.4 Cg_endo -95.17 9.53 1.77 Allowed 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 123.187 2.591 . . . . 1.0 112.258 -177.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.696 ' HB2' ' HG3' ' A' 1658 ' ' GLN . 41.6 p90 -108.99 146.74 33.39 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 115.811 -0.631 . . . . 1.0 110.662 -174.582 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 19.6 m -158.09 91.87 1.14 Allowed 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.351 -0.841 . . . . 1.0 109.289 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -168.64 151.93 5.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.464 -0.334 . . . . 1.0 111.39 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.86 107.21 0.51 Allowed 'Trans proline' 0 CA--C 1.519 -0.254 0 C-N-CA 123.091 2.527 . . . . 1.0 111.449 173.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 132.6 -22.06 4.17 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.308 -0.948 . . . . 1.0 111.779 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.696 ' HG3' ' HB2' ' A' 1653 ' ' PHE . 1.5 mm100 -67.58 -31.86 72.21 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.716 0.293 . . . . 1.0 110.867 -176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.9 tp -60.48 -51.66 68.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 1.0 109.841 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -58.32 -37.38 74.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.627 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.779 ' HA ' HG11 ' A' 1731 ' ' VAL . 73.2 m -63.58 -53.99 43.06 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.848 -0.615 . . . . 1.0 110.743 179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.612 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 29.3 tt0 -68.18 -41.27 81.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.467 -174.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 9.1 t -68.67 -31.4 70.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.604 -0.438 . . . . 1.0 110.58 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.8 71.59 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 109.998 -0.371 . . . . 1.0 109.998 176.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' 1661 ' ' CYS . 42.4 mt -57.12 -42.55 79.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.809 175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.52 84.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.47 -0.332 . . . . 1.0 111.124 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.08 -42.35 38.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.256 0.55 . . . . 1.0 110.258 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.63 -34.24 77.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.269 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 39.9 t-20 -60.72 -42.17 96.75 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.555 -0.748 . . . . 1.0 109.256 176.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.8 t -62.37 -42.87 99.75 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.62 177.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.461 ' HB3' ' OG1' ' A' 1742 ' ' THR . 80.7 m -63.1 -38.08 89.76 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 121.168 0.508 . . . . 1.0 110.125 178.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.485 HD12 ' HG3' ' A' 1766 ' ' LYS . 54.9 tp -61.24 -43.82 98.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 1.0 110.439 175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 31.3 mmt180 -69.09 -42.91 75.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.592 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -59.57 -43.03 93.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.578 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.722 ' HG ' HG23 ' A' 1742 ' ' THR . 40.2 mt -66.37 -41.24 89.72 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.277 -0.419 . . . . 1.0 111.325 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.6 t70 -63.92 -40.67 97.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.038 0.447 . . . . 1.0 110.514 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -75.0 -30.22 61.09 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.703 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -61.95 -45.18 94.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.427 -0.351 . . . . 1.0 110.462 173.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 23.0 t -52.37 -51.31 59.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.242 175.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.9 tp -58.59 -52.19 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.134 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' 1686 ' ' GLN . . . -64.23 -31.77 73.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.633 -176.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.21 90.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.71 0.291 . . . . 1.0 110.787 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' 1679 ' ' SER . 89.0 t -63.42 -47.65 90.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.2 m -87.05 3.22 46.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.064 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 57.6 59.19 3.36 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 121.488 0.661 . . . . 1.0 111.225 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.443 ' HB2' ' HB1' ' A' 1681 ' ' ALA . 46.7 mt-30 -109.78 -11.23 14.73 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.186 -0.915 . . . . 1.0 110.933 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 71.2 mt -75.67 130.05 38.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.215 0.531 . . . . 1.0 111.676 -174.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.25 162.44 74.39 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.382 -0.827 . . . . 1.0 109.265 171.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -47.4 153.2 2.03 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.031 2.487 . . . . 1.0 113.606 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.778 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -55.09 172.12 0.13 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.493 0.923 . . . . 1.0 113.493 -176.147 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.634 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 14.1 mm-40 -75.59 67.05 2.03 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.419 -0.81 . . . . 1.0 111.792 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 46.21 60.95 4.3 Favored Glycine 0 C--N 1.335 0.527 0 O-C-N 123.725 0.64 . . . . 1.0 113.688 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.778 ' H ' ' HD3' ' A' 1690 ' ' ARG . 19.5 tt -147.63 142.72 19.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.903 0.382 . . . . 1.0 111.248 -175.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.6 m -81.68 168.47 18.08 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.43 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.438 ' O ' ' HB2' ' A' 1698 ' ' LEU . 24.0 tp60 -67.48 -44.08 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.923 0.342 . . . . 1.0 111.923 -173.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.471 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 66.9 mm-40 -69.72 -36.93 76.31 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.785 0.326 . . . . 1.0 110.221 178.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.01 81.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.038 176.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.47 HD23 HD13 ' A' 1693 ' ' ILE . 20.7 mt -58.51 -43.31 89.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.59 173.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.488 ' CE1' ' HA ' ' A' 1818 ' ' ALA . 20.8 m170 -63.81 -43.47 96.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.928 -0.578 . . . . 1.0 109.996 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.1 m -74.45 -49.55 21.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.73 -0.668 . . . . 1.0 112.135 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -54.96 -45.14 74.88 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.044 0.449 . . . . 1.0 110.449 -176.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 81.0 mmm -61.44 -52.9 62.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.573 -0.74 . . . . 1.0 110.425 177.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.518 HD23 HG23 ' A' 1811 ' ' THR . 2.5 tm? -56.21 -50.78 70.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.28 -177.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 25.4 m -57.86 -47.02 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.654 -0.248 . . . . 1.0 111.579 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.587 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -62.92 -47.33 83.72 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.055 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.757 HG12 HG13 ' A' 1807 ' ' VAL . 88.5 t -55.58 -46.02 78.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.22 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.199 -178.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -61.49 -46.41 90.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 1.0 111.063 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -59.72 -39.25 84.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.873 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.7 ' O ' HG13 ' A' 1713 ' ' ILE . 76.9 mt -63.46 -53.74 41.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.376 176.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.54 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -51.98 -40.8 61.47 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.051 0.453 . . . . 1.0 110.715 -178.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.8 m170 -63.54 -31.11 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.591 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.867 HD11 ' HB2' ' A' 1734 ' ' MET . 0.9 OUTLIER -92.27 -19.98 21.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.104 -0.239 . . . . 1.0 111.115 179.792 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.867 HG22 HG23 ' A' 1800 ' ' VAL . 65.6 mt -60.88 -45.96 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-O 120.807 0.336 . . . . 1.0 110.646 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.45 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 33.2 mt-10 -59.81 -56.42 35.86 Favored Pre-proline 0 CA--C 1.541 0.624 0 CA-C-N 116.015 -0.538 . . . . 1.0 111.401 -179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.45 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 18.8 Cg_endo -60.97 -29.51 88.13 Favored 'Trans proline' 0 C--N 1.357 0.976 0 C-N-CA 122.378 2.052 . . . . 1.0 113.005 177.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.826 HD13 ' HE3' ' A' 1734 ' ' MET . 7.2 tt -66.53 -49.57 66.08 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.754 -0.461 . . . . 1.0 109.754 178.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . 0.452 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -58.8 -44.18 90.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.982 0.42 . . . . 1.0 110.327 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 28.9 t -56.4 -50.22 72.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.232 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.98 62.75 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 116.628 -0.26 . . . . 1.0 110.974 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -53.07 -43.71 66.95 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.835 0.68 . . . . 1.0 112.835 -173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' 1717 ' ' ALA . 12.0 ptt180 -72.18 -12.86 61.37 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.842 0.682 . . . . 1.0 112.842 -172.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.99 -60.64 0.49 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.938 0.347 . . . . 1.0 111.938 -176.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.08 177.93 8.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.135 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -143.32 -52.5 0.36 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 121.021 -0.271 . . . . 1.0 111.727 -177.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.5 t -58.72 -33.43 70.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.453 -0.34 . . . . 1.0 111.802 -172.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -89.78 -22.95 21.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.341 0.591 . . . . 1.0 109.845 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' 1724 ' ' ALA . 2.0 tp -58.62 -47.46 84.3 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.921 -1.036 . . . . 1.0 111.443 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.88 -34.27 45.09 Favored Glycine 0 CA--C 1.52 0.383 0 CA-C-N 115.703 -0.68 . . . . 1.0 112.844 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -70.99 -37.11 72.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.609 0.243 . . . . 1.0 110.416 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.459 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 50.3 mmtt -60.8 -51.54 68.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.25 0.548 . . . . 1.0 109.538 177.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.779 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.8 t -59.15 -46.49 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.113 -0.949 . . . . 1.0 111.299 -177.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.9 m -56.78 -37.68 71.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.041 -0.527 . . . . 1.0 111.109 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -74.05 -45.35 50.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.379 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.867 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -59.56 -45.96 90.32 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.731 0.3 . . . . 1.0 111.452 -175.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.65 -27.47 65.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.715 0.769 . . . . 1.0 109.94 -176.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -67.97 -37.22 81.28 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.376 -1.284 . . . . 1.0 111.633 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -78.57 -25.24 45.32 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.851 0.358 . . . . 1.0 111.363 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.618 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.8 m-85 -72.18 -22.77 61.24 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.368 -0.378 . . . . 1.0 111.775 -179.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.409 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 45.1 tt0 -62.14 -58.2 18.97 Favored Pre-proline 0 CA--C 1.539 0.554 0 C-N-CA 120.811 -0.356 . . . . 1.0 111.123 178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.409 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.6 Cg_endo -59.87 -38.89 76.55 Favored 'Trans proline' 0 C--N 1.358 1.075 0 C-N-CA 121.671 1.581 . . . . 1.0 112.429 176.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.587 HD21 ' HB3' ' A' 1705 ' ' ALA . 14.8 mt -58.14 -47.04 84.57 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 120.746 0.308 . . . . 1.0 111.124 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.722 HG23 ' HG ' ' A' 1675 ' ' LEU . 52.2 m -54.87 -54.43 42.53 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.211 174.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.634 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 88.7 mt -63.86 -39.31 93.91 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.705 -177.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.499 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.86 -40.05 83.68 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.385 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.401 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.18 -45.31 81.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.371 -0.377 . . . . 1.0 110.919 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.711 HG23 ' O ' ' A' 1742 ' ' THR . 23.7 t -65.58 -31.47 53.94 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -62.76 -47.81 86.14 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.845 -0.616 . . . . 1.0 111.67 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.569 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.53 -37.66 86.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.727 0.299 . . . . 1.0 110.698 176.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.569 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -57.17 -43.29 82.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.382 0.611 . . . . 1.0 111.225 176.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 36.5 t -82.07 -37.52 26.28 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.613 -175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 55.5 tttp -91.43 -38.92 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -170.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.494 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 98.3 m -77.1 112.98 14.34 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 120.75 0.309 . . . . 1.0 110.843 -176.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 10.0 mp -74.45 -21.2 59.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.724 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 13.2 m -68.21 90.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.617 -0.512 . . . . 1.0 109.617 175.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.449 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 37.2 m80 -55.75 -49.1 94.8 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 113.412 0.893 . . . . 1.0 113.412 -169.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.449 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 76.4 Cg_exo -51.1 -58.96 1.34 Allowed 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 121.915 1.743 . . . . 1.0 112.615 178.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -63.84 -42.79 97.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.351 . . . . 1.0 110.684 -178.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.569 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.6 tt0 -51.99 -57.24 10.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.403 -0.817 . . . . 1.0 110.686 178.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -73.66 -29.81 62.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 1.0 111.198 -175.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.14 -54.02 30.64 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.058 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.569 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -70.64 -29.95 66.45 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 119.99 -0.684 . . . . 1.0 109.756 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 53.3 tp -60.85 -53.7 54.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.295 175.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 19.9 t70 -67.92 -39.52 83.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.538 -0.756 . . . . 1.0 110.991 -178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -69.79 -30.35 67.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.494 -0.321 . . . . 1.0 111.733 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 91.0 m -65.86 -41.12 92.07 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 109.082 -0.71 . . . . 1.0 109.082 173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.555 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 63.6 tttt -62.91 -41.87 99.59 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.926 -1.034 . . . . 1.0 110.393 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 45.7 m -60.46 -41.76 94.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.792 174.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.521 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 45.0 tp -65.68 -34.78 79.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 1.0 109.928 177.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.35 96.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.499 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -60.65 -40.59 92.56 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.117 0.484 . . . . 1.0 110.378 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -63.87 -45.76 88.01 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.448 -0.796 . . . . 1.0 110.446 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.431 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -67.45 -35.18 78.7 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.914 179.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.6 tp -64.02 -46.6 83.78 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.703 -0.48 . . . . 1.0 109.703 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.6 -35.89 82.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.799 176.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.737 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -64.64 -53.16 51.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.45 -0.795 . . . . 1.0 109.964 177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.676 HD22 HG13 ' A' 1731 ' ' VAL . 46.9 mt -61.8 -33.14 73.59 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.618 0.247 . . . . 1.0 110.673 178.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.47 ' O ' ' HG2' ' A' 1781 ' ' GLU . 2.1 m-85 -64.45 -54.02 39.19 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 1.0 111.212 176.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -65.36 -34.89 79.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.818 0.342 . . . . 1.0 111.058 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -69.57 -24.84 63.75 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.812 176.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.612 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 31.5 ttpt -77.73 -36.56 50.75 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.964 0.411 . . . . 1.0 110.395 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' 1777 ' ' TYR . 7.1 mm-40 -73.04 -50.62 21.99 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.858 -0.61 . . . . 1.0 111.269 178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.457 ' HB2' ' CG2' ' A' 1792 ' ' THR . . . -83.39 -17.86 40.79 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 112.103 0.409 . . . . 1.0 112.103 -175.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.3 104.76 0.16 Allowed Glycine 0 CA--C 1.506 -0.524 0 O-C-N 123.912 0.758 . . . . 1.0 114.196 -169.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 70.38 16.54 73.61 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 114.956 -0.622 . . . . 1.0 112.321 174.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.404 ' ND2' ' H ' ' A' 1788 ' ' GLN . 15.0 t30 -146.57 86.21 6.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 121.136 0.493 . . . . 1.0 110.564 -176.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.536 ' HA ' ' HB3' ' A' 1789 ' ' ALA . 16.9 Cg_exo -68.53 -11.47 32.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.999 2.466 . . . . 1.0 112.231 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -59.45 -49.97 75.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.928 -0.578 . . . . 1.0 110.447 178.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.721 ' HG3' ' HB2' ' A' 1652 ' ' PRO . 0.0 OUTLIER -106.46 51.52 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.744 -0.836 . . . . 1.0 108.744 179.018 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.916 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -136.42 13.57 3.24 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 115.888 -0.596 . . . . 1.0 112.445 -174.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . 0.413 ' O ' ' HG3' ' A' 1794 ' ' GLU . . . -67.63 -61.3 1.95 Allowed 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 119.658 -0.817 . . . . 1.0 109.955 -179.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 21.5 p80 -74.19 -20.71 60.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.442 0.639 . . . . 1.0 109.825 173.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.916 ' HB ' ' HA ' ' A' 1789 ' ' ALA . 9.7 m -74.83 -43.98 51.7 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.354 -0.839 . . . . 1.0 111.071 -175.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.719 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 96.2 mt-30 -63.84 -36.75 84.94 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.307 -0.257 . . . . 1.0 110.307 177.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' 1790 ' ' ALA . 43.7 mt-10 -60.16 -46.8 88.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.778 176.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.11 62.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.004 -0.544 . . . . 1.0 110.919 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.52 -26.97 68.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.858 175.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.515 ' HG3' ' O ' ' A' 1793 ' ' GLN . 44.7 mt-10 -76.0 -39.67 55.3 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.205 0.526 . . . . 1.0 110.051 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -71.36 -29.74 65.33 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.019 177.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -68.78 -48.19 64.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.116 178.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.867 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -62.2 -38.46 81.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.155 0 CA-C-O 120.727 0.299 . . . . 1.0 110.328 178.554 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' 1797 ' ' GLU . 79.9 mt-30 -67.5 -41.87 83.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.465 -0.334 . . . . 1.0 110.743 177.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 17.2 tpt -58.43 -47.51 83.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.704 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.719 ' HB3' HD13 ' A' 1713 ' ' ILE . 72.3 mtp -61.78 -49.84 74.73 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 120.776 -0.37 . . . . 1.0 110.354 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.418 ' O ' ' HB ' ' A' 1807 ' ' VAL . 86.8 m -55.05 -45.89 75.32 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 123.585 0.553 . . . . 1.0 111.423 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -63.56 -38.29 90.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.372 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -74.65 -27.8 60.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.298 -178.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.757 HG13 HG12 ' A' 1706 ' ' VAL . 45.1 t -59.34 -50.63 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.48 -0.782 . . . . 1.0 110.006 172.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -65.17 -37.15 86.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.713 -0.676 . . . . 1.0 109.472 176.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -62.46 -56.78 14.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.865 -1.061 . . . . 1.0 111.215 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.435 HD23 HG21 ' A' 1706 ' ' VAL . 20.5 tp -65.63 -44.33 86.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.668 -178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.518 HG23 HD23 ' A' 1703 ' ' LEU . 32.9 m -53.85 -39.2 65.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.539 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 60.8 m -59.37 -54.13 50.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.697 178.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.8 m -60.7 -37.98 83.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 1.0 110.872 -179.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 93.9 mt -67.48 -45.63 75.32 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.056 -0.52 . . . . 1.0 111.751 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -27.88 59.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.118 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -74.35 -40.04 62.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 174.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.472 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -55.36 -18.57 6.85 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.601 -0.727 . . . . 1.0 112.157 -179.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . 0.488 ' HA ' ' CE1' ' A' 1699 ' ' HIS . . . -53.69 -50.9 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.829 0.347 . . . . 1.0 110.228 175.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 45.7 m -104.71 -18.67 14.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.955 0.407 . . . . 1.0 111.158 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -86.37 -22.0 26.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.867 -176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.494 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -146.51 82.15 1.58 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 1.0 111.451 -176.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.978 -0.901 . . . . 1.0 111.297 178.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . 0.545 ' O ' HG12 ' A' 1650 ' ' ILE . . . . . . . . 0 N--CA 1.483 1.79 0 N-CA-C 111.653 -0.579 . . . . 1.0 111.653 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' 1649 ' ' GLY . 12.8 pt 56.31 11.12 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.923 1.289 . . . . 1.0 113.622 175.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 45.55 72.71 1.15 Allowed Pre-proline 0 N--CA 1.471 0.608 0 C-N-CA 122.888 0.475 . . . . 1.0 110.852 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' 1649 ' ' GLY . 97.5 Cg_endo -88.2 151.74 6.82 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.995 2.463 . . . . 1.0 113.192 -172.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 32.5 p90 51.87 7.65 0.05 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.629 1.171 . . . . 1.0 113.4 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.468 ' OG1' ' HG2' ' A' 1658 ' ' GLN . 0.8 OUTLIER -152.0 -175.86 5.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.751 0.31 . . . . 1.0 110.719 -179.246 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.484 ' HB1' ' HD2' ' A' 1656 ' ' PRO . . . -90.26 171.8 7.97 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.954 -0.566 . . . . 1.0 112.397 -173.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.484 ' HD2' ' HB1' ' A' 1655 ' ' ALA . 80.2 Cg_exo -51.76 153.1 11.98 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 123.25 2.633 . . . . 1.0 112.638 169.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 98.98 -19.74 53.07 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.719 -0.953 . . . . 1.0 110.719 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.562 ' HA ' ' OE1' ' A' 1658 ' ' GLN . 0.7 OUTLIER -68.68 -27.28 65.84 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 114.795 -0.703 . . . . 1.0 111.025 -177.524 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 46.0 tp -54.98 -46.39 75.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.491 172.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.55 -26.68 65.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.649 -178.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 67.2 m -68.92 -37.83 79.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.856 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.29 -40.35 74.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.588 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 43.1 p -72.5 -35.68 68.19 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.666 -0.697 . . . . 1.0 111.162 -179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . 0.445 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -70.09 -46.1 65.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.134 -0.484 . . . . 1.0 111.09 178.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 45.5 mt -57.47 -43.07 82.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.457 -0.338 . . . . 1.0 111.208 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.67 -40.32 83.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.839 0.352 . . . . 1.0 111.258 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.46 -43.15 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.239 0.542 . . . . 1.0 110.538 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 29.2 tp -64.85 -33.92 77.15 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.33 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -63.95 -38.46 91.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.775 -0.648 . . . . 1.0 109.584 177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.6 t -63.55 -36.2 83.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.257 177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 82.2 m -63.96 -41.52 97.54 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.873 0.368 . . . . 1.0 110.357 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.575 HD11 ' CG ' ' A' 1770 ' ' GLU . 2.6 mm? -60.87 -39.28 88.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.289 177.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' 1673 ' ' ARG . 22.5 ttp-105 -66.53 -40.64 89.24 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.687 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.29 -48.12 30.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.094 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.676 ' HG ' HG23 ' A' 1742 ' ' THR . 80.4 mt -60.3 -33.97 73.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.863 0.363 . . . . 1.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 12.3 t70 -60.72 -43.96 97.22 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.451 0.643 . . . . 1.0 110.311 176.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -78.83 -30.39 45.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.293 -0.867 . . . . 1.0 110.605 -177.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.06 -49.52 77.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.168 173.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 23.6 t -62.79 -40.14 96.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.6 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.463 ' O ' HG12 ' A' 1683 ' ' VAL . 58.5 tp -66.69 -33.78 76.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.942 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.92 -42.66 23.64 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.535 -0.302 . . . . 1.0 110.836 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.406 ' HB1' HE21 ' A' 1758 ' ' GLN . . . -67.4 -27.43 67.08 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.137 0.421 . . . . 1.0 112.137 -176.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' 1680 ' ' LEU . 13.9 p -67.55 -21.22 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.168 0.508 . . . . 1.0 110.535 178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 15.3 m -114.71 5.32 15.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.048 0.451 . . . . 1.0 109.955 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 57.35 33.94 24.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.013 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.11 6.32 49.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 41.9 tp -76.84 141.5 40.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.561 -0.745 . . . . 1.0 111.554 -172.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -67.4 154.96 92.04 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.689 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.68 166.53 11.64 Favored 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.059 2.506 . . . . 1.0 113.121 -178.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.59 155.35 7.5 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.884 -0.598 . . . . 1.0 111.318 177.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.582 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 37.0 mm-40 -54.42 -64.57 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.187 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -176.92 70.89 0.08 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 N-CA-C 110.432 -1.067 . . . . 1.0 110.432 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.412 HG21 HD21 ' A' 1698 ' ' LEU . 7.4 tp -156.92 142.82 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.625 0 CA-C-O 120.64 0.257 . . . . 1.0 110.649 -169.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 12.1 m -82.0 174.94 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.831 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -71.1 -53.87 13.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.449 0.166 . . . . 1.0 111.073 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.456 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.4 mp0 -61.66 -35.57 78.35 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.479 0.657 . . . . 1.0 109.472 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.4 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -68.45 -27.66 66.37 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.974 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.474 HD11 ' HD3' ' A' 1751 ' ' LYS . 21.5 mt -64.5 -46.55 82.48 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.86 0.362 . . . . 1.0 110.163 173.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -53.87 -48.54 69.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.63 -0.714 . . . . 1.0 109.626 175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 74.5 m -64.19 -52.04 60.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.499 -0.318 . . . . 1.0 111.325 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -49.16 -56.11 10.24 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.083 0.553 . . . . 1.0 111.339 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.591 ' O ' HG23 ' A' 1706 ' ' VAL . 74.4 mtp -71.94 -48.72 43.28 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.432 -0.804 . . . . 1.0 111.231 -174.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.457 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.4 tm? -58.2 -38.21 76.3 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 120.577 0.227 . . . . 1.0 110.748 -177.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 61.2 m -64.03 -46.43 84.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.667 0.27 . . . . 1.0 110.932 178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.58 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.24 -44.82 86.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.201 -177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.853 HG12 HG13 ' A' 1807 ' ' VAL . 60.8 t -56.69 -43.3 78.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.402 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.442 ' HG3' ' O ' ' A' 1703 ' ' LEU . 47.4 mt-30 -60.69 -48.85 79.96 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.94 0.4 . . . . 1.0 110.71 177.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -59.07 -33.17 70.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.319 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.68 ' O ' HG13 ' A' 1713 ' ' ILE . 71.8 mt -67.42 -56.17 14.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.35 176.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -55.2 -35.39 64.8 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.239 0.542 . . . . 1.0 110.519 -178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 5.1 t60 -55.14 -42.03 72.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.191 -0.913 . . . . 1.0 110.612 178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.813 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.87 -16.68 24.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.891 -177.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.812 HG22 HG23 ' A' 1800 ' ' VAL . 60.6 mt -61.31 -45.74 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 121.206 -0.197 . . . . 1.0 110.872 -176.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.8 mt-10 -59.95 -56.41 35.87 Favored Pre-proline 0 CA--C 1.539 0.538 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.625 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.431 ' HG2' ' O ' ' A' 1712 ' ' LEU . 18.0 Cg_endo -59.3 -34.34 97.87 Favored 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 122.259 1.973 . . . . 1.0 112.748 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -63.62 -45.99 87.74 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 110.224 -0.287 . . . . 1.0 110.224 -178.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.02 -45.54 86.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.041 0.448 . . . . 1.0 110.765 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 48.5 t -63.86 -43.66 95.44 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.893 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.633 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -70.3 -40.89 73.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.522 -178.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.659 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -57.8 -32.81 67.92 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.176 0.436 . . . . 1.0 112.176 -175.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -85.67 -13.23 49.19 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.59 0.589 . . . . 1.0 112.59 -177.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -154.35 -60.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.012 0.745 . . . . 1.0 113.012 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.633 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.5 mp0 -72.6 88.85 1.28 Allowed 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.142 0.496 . . . . 1.0 111.377 -176.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.511 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.74 -42.4 61.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.809 -0.632 . . . . 1.0 112.197 -173.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.2 p -64.41 -23.65 67.36 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.301 -0.409 . . . . 1.0 111.634 -175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.524 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 50.7 mt-30 -94.8 -33.08 13.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.092 0.472 . . . . 1.0 109.949 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.659 HD13 ' HA ' ' A' 1720 ' ' ALA . 6.1 tp -49.09 -51.09 33.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.932 -1.031 . . . . 1.0 112.267 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.46 -35.11 50.28 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.949 -0.569 . . . . 1.0 112.722 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -76.87 -26.29 54.07 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.787 -0.243 . . . . 1.0 111.046 -178.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 49.9 mmtt -71.69 -49.23 41.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.275 0.56 . . . . 1.0 109.495 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.752 HG11 ' HA ' ' A' 1661 ' ' CYS . 53.1 t -58.2 -46.93 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.001 -1.0 . . . . 1.0 111.133 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . 0.669 ' O ' ' HG3' ' A' 1736 ' ' GLN . 15.5 m -52.94 -48.52 67.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.439 177.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -62.03 -46.1 90.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.745 -178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 52.7 ttm -59.69 -41.42 90.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.007 0.432 . . . . 1.0 110.955 -175.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . 0.445 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -67.85 -28.6 67.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.946 -176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.669 ' HG3' ' O ' ' A' 1732 ' ' SER . 21.4 mt-30 -61.21 -50.64 72.28 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.192 -178.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -73.95 -25.25 59.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.738 -0.665 . . . . 1.0 111.952 -171.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -73.29 -23.59 60.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 111.968 0.358 . . . . 1.0 111.968 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.418 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -64.13 -58.44 14.29 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.115 178.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' 1736 ' ' GLN . 12.3 Cg_endo -60.56 -36.58 85.22 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.653 1.569 . . . . 1.0 112.212 175.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.5 mt -56.37 -47.91 77.9 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 120.61 0.243 . . . . 1.0 111.1 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.68 ' O ' HG23 ' A' 1746 ' ' VAL . 91.8 m -54.27 -56.04 22.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.509 176.047 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.582 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 60.8 mt -63.51 -38.49 91.33 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.384 -177.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.13 83.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.8 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.23 -43.03 87.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.777 177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.68 HG23 ' O ' ' A' 1742 ' ' THR . 14.8 t -65.61 -29.85 48.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.377 0.608 . . . . 1.0 109.424 176.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.633 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.73 -47.98 71.33 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.676 -0.693 . . . . 1.0 112.106 174.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.61 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.33 -36.97 76.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.877 0.37 . . . . 1.0 110.747 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.616 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -61.75 -36.3 80.61 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.849 -0.614 . . . . 1.0 112.327 179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 4.3 p -82.3 -40.41 21.53 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 120.197 -0.601 . . . . 1.0 112.085 -173.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.633 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -92.06 -35.42 13.93 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.612 0.968 . . . . 1.0 113.612 -174.112 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 79.6 m -72.85 129.04 37.26 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.572 -0.451 . . . . 1.0 110.362 -178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 94.9 mt -89.62 -29.18 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 111.107 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 23.4 m -67.66 97.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.943 0.402 . . . . 1.0 110.25 177.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -57.7 -45.61 99.81 Favored Pre-proline 0 CA--C 1.537 0.457 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 -175.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -61.98 -2.76 3.16 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.342 2.028 . . . . 1.0 113.512 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.406 HE22 ' HB3' ' A' 1820 ' ' ALA . 33.6 tt0 -120.06 -51.2 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.865 0.364 . . . . 1.0 110.173 176.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.616 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -50.44 -57.51 7.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.382 -0.827 . . . . 1.0 111.096 176.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 63.2 mtp -74.54 -28.73 61.09 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.751 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.455 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -66.15 -53.83 32.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.406 -177.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.61 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -69.51 -30.32 68.15 Favored 'General case' 0 C--O 1.225 -0.197 0 C-N-CA 120.378 -0.529 . . . . 1.0 109.891 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.503 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.4 tp -58.17 -48.5 80.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.639 -0.71 . . . . 1.0 109.854 173.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -69.42 -39.51 77.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.371 -0.831 . . . . 1.0 111.073 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.455 ' HG3' ' O ' ' A' 1760 ' ' ALA . 24.9 mt-30 -69.02 -33.07 73.06 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.277 -0.42 . . . . 1.0 111.374 -178.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 84.7 m -63.64 -44.39 93.99 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 173.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.408 ' HA ' HD13 ' A' 1675 ' ' LEU . 70.9 tttt -62.38 -41.46 98.66 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.311 175.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 89.7 m -59.76 -49.62 77.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.815 176.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.48 HD13 ' HB3' ' A' 1806 ' ' ALA . 56.5 tp -62.45 -33.56 75.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.747 0.308 . . . . 1.0 110.176 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.96 -39.23 90.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.646 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.575 ' CG ' HD11 ' A' 1672 ' ' LEU . 47.2 mt-10 -67.44 -41.46 84.72 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.117 -0.327 . . . . 1.0 110.117 175.125 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.7 m -59.39 -40.87 87.97 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.04 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.46 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -70.0 -37.32 75.64 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.828 177.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 24.0 tp -67.67 -41.48 83.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.566 -0.531 . . . . 1.0 109.566 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -62.08 -39.11 91.34 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.475 -0.565 . . . . 1.0 109.475 174.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.813 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.77 -53.57 52.37 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.431 -0.804 . . . . 1.0 109.864 176.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.661 HD22 HG13 ' A' 1731 ' ' VAL . 62.3 mt -60.93 -35.97 78.1 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 121.158 -0.217 . . . . 1.0 110.889 178.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.456 ' CD1' HD13 ' A' 1665 ' ' ILE . 3.1 m-85 -63.36 -54.04 43.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.613 -0.267 . . . . 1.0 111.318 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.5 p -64.61 -31.9 73.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.017 0.437 . . . . 1.0 110.905 -179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.05 -24.28 62.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.614 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 76.6 tttt -80.29 -27.34 38.53 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.038 0.447 . . . . 1.0 110.683 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -77.98 -48.95 15.05 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.785 0.326 . . . . 1.0 111.511 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.7 -16.65 41.01 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 113.671 0.989 . . . . 1.0 113.671 -174.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.62 102.79 0.05 OUTLIER Glycine 0 N--CA 1.466 0.659 0 N-CA-C 115.82 1.088 . . . . 1.0 115.82 -163.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.511 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 71.6 5.02 59.43 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 114.726 -0.737 . . . . 1.0 112.929 172.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.2 t30 -143.85 89.06 7.42 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 121.165 0.507 . . . . 1.0 110.649 -175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.37 -7.88 21.69 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.658 2.239 . . . . 1.0 111.803 178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 90.1 mttt -68.17 -30.75 69.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.523 -0.762 . . . . 1.0 110.722 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.87 83.41 2.16 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.955 -0.757 . . . . 1.0 108.955 176.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -163.4 -71.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.927 -0.578 . . . . 1.0 110.961 -176.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 50.83 -92.1 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.507 0.723 . . . . 1.0 112.814 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -70.25 -16.93 63.1 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.36 0.6 . . . . 1.0 110.458 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . . . . . . . . . 86.8 m -68.92 -31.74 70.86 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.03 175.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -65.49 -33.5 76.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.293 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -68.09 -42.78 79.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.598 -0.728 . . . . 1.0 110.437 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -78.77 -28.07 44.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.936 -0.574 . . . . 1.0 111.659 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.37 -26.14 68.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.236 0.541 . . . . 1.0 109.864 175.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.95 -41.77 58.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.623 -0.717 . . . . 1.0 110.394 176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -66.59 -36.54 82.88 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.122 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.44 -48.38 72.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.002 -0.544 . . . . 1.0 111.521 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.812 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -62.89 -42.43 96.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-O 120.656 0.265 . . . . 1.0 110.921 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.07 -38.89 79.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.538 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 50.7 ttm -59.73 -47.47 85.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.476 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.8 mtp -61.51 -51.67 67.69 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.942 -0.303 . . . . 1.0 110.304 175.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.487 ' O ' ' HB ' ' A' 1807 ' ' VAL . 98.8 m -48.93 -48.31 42.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 123.818 0.699 . . . . 1.0 111.705 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -71.05 -37.95 72.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.657 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.48 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -69.4 -26.88 64.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.366 0.603 . . . . 1.0 110.155 -178.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.853 HG13 HG12 ' A' 1706 ' ' VAL . 38.2 t -56.56 -50.88 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.29 -0.868 . . . . 1.0 110.553 173.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -73.69 -28.5 61.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 1.0 109.9 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.475 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 24.8 t70 -59.54 -58.64 7.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.089 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.24 -41.68 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.083 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.45 HG23 HD23 ' A' 1703 ' ' LEU . 20.4 m -54.46 -37.59 65.37 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.658 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 43.8 m -58.76 -56.53 21.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.496 0.189 . . . . 1.0 110.862 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 3.8 m -59.78 -36.77 77.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.16 0.505 . . . . 1.0 110.912 -178.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.8 mt -69.75 -41.38 75.29 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.861 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.457 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.49 -22.22 59.18 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.074 -0.512 . . . . 1.0 111.118 -179.166 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -76.88 -41.0 45.51 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.705 -0.85 . . . . 1.0 108.705 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.67 -15.15 3.98 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 115.213 -0.903 . . . . 1.0 112.287 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.66 -53.25 58.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.78 0.324 . . . . 1.0 110.601 175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.5 t -104.36 -20.93 13.59 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.961 0.41 . . . . 1.0 110.543 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.406 ' HB3' HE22 ' A' 1757 ' ' GLN . . . -79.91 -19.72 47.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.441 . . . . 1.0 111.949 -176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -127.41 148.67 50.28 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.752 0 CA-C-O 118.95 -0.917 . . . . 1.0 111.939 -178.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.24 -0.344 . . . . 1.0 112.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 15.1 tt -105.75 -13.99 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.907 0.384 . . . . 1.0 110.121 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 22.2 t70 68.36 89.9 0.09 OUTLIER Pre-proline 0 N--CA 1.465 0.277 0 CA-C-N 115.154 -0.93 . . . . 1.0 110.812 -177.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -88.84 149.54 5.92 Favored 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 122.869 2.379 . . . . 1.0 111.795 177.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.43 ' O ' ' HB ' ' A' 1654 ' ' THR . 98.2 m-85 62.45 -91.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.128 -0.487 . . . . 1.0 111.263 178.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' 1653 ' ' PHE . 9.0 t 173.37 165.93 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.048 0.139 . . . . 1.0 110.973 -176.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 87.05 161.2 0.1 OUTLIER Pre-proline 0 N--CA 1.472 0.625 0 O-C-N 124.348 1.03 . . . . 1.0 113.132 165.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.596 ' O ' ' HB1' ' A' 1724 ' ' ALA . 13.0 Cg_exo -70.9 170.75 17.18 Favored 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 123.188 2.592 . . . . 1.0 111.298 172.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 78.14 -46.17 2.67 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 120.417 -0.897 . . . . 1.0 111.001 -175.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -39.58 -44.44 1.46 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 125.023 1.329 . . . . 1.0 111.917 172.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.32 -52.68 57.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.072 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -62.67 -28.54 70.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.518 -176.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.508 ' O ' HG13 ' A' 1665 ' ' ILE . 75.1 m -64.91 -48.19 75.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.92 179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -38.38 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.007 0.432 . . . . 1.0 110.518 -176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 40.6 p -68.85 -35.37 76.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.895 -0.593 . . . . 1.0 110.748 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.56 -36.56 78.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.671 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' 1661 ' ' CYS . 60.0 mt -57.03 -40.2 71.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.822 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.69 -41.32 99.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.024 0.44 . . . . 1.0 110.993 178.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . 0.488 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -74.68 -41.5 60.14 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.255 0.55 . . . . 1.0 110.669 -178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' 1773 ' ' LEU . 27.5 tp -66.28 -35.9 81.6 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.217 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.521 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.7 t-20 -62.82 -39.27 93.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.096 -0.705 . . . . 1.0 109.096 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . 0.488 ' HB3' ' O ' ' A' 1667 ' ' ALA . 40.2 t -57.55 -40.25 78.46 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.129 -0.941 . . . . 1.0 110.601 176.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.4 m -66.79 -37.68 85.04 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.813 179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.464 HD13 ' HA ' ' A' 1672 ' ' LEU . 2.1 mm? -56.98 -44.18 82.41 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.519 -0.309 . . . . 1.0 110.994 177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.8 mtm180 -62.47 -51.72 66.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 1.0 109.932 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t0 -58.89 -41.78 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.273 -0.876 . . . . 1.0 111.075 -175.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.797 ' HG ' HG23 ' A' 1742 ' ' THR . 69.0 mt -67.45 -39.76 85.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.566 179.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.86 -44.38 69.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.929 0.395 . . . . 1.0 110.336 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' 1673 ' ' ARG . 14.5 mm100 -64.49 -33.79 76.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.535 . . . . 1.0 109.718 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.596 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -59.39 -48.57 81.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.566 175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.475 ' HA ' HD21 ' A' 1762 ' ' LEU . 32.8 t -59.0 -46.82 87.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.831 0.348 . . . . 1.0 110.331 178.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.432 ' O ' HG12 ' A' 1683 ' ' VAL . 56.3 tp -63.26 -41.29 99.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.753 -0.658 . . . . 1.0 111.679 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.458 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -77.27 -38.32 51.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.624 -0.262 . . . . 1.0 111.256 -179.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.61 -37.58 82.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.693 0.282 . . . . 1.0 111.235 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' 1680 ' ' LEU . 8.5 p -70.41 -11.11 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-O 121.464 0.649 . . . . 1.0 109.979 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.521 ' HB3' HE21 ' A' 1686 ' ' GLN . 15.8 m -113.89 3.97 15.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.597 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 55.19 39.8 31.52 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.207 0.527 . . . . 1.0 111.444 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.521 HE21 ' HB3' ' A' 1684 ' ' SER . 47.3 mt-30 -130.25 22.13 5.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.994 -177.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.596 HD13 ' HA ' ' A' 1678 ' ' ALA . 56.6 tp -96.0 157.89 15.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.813 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.454 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.91 144.82 83.08 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.441 176.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 24.2 Cg_exo -65.06 175.14 4.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 123.019 2.479 . . . . 1.0 112.523 178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.403 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.6 OUTLIER -58.33 150.55 21.74 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.98 179.049 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -51.43 -50.05 60.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.806 -0.634 . . . . 1.0 110.733 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 165.98 69.12 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.445 HD11 ' HB1' ' A' 1697 ' ' ALA . 7.2 tp -152.9 143.15 14.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 110.388 -0.227 . . . . 1.0 110.388 -170.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.43 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 49.6 m -79.36 176.74 9.4 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.673 0.273 . . . . 1.0 111.455 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.521 ' O ' ' HB2' ' A' 1698 ' ' LEU . 26.0 tp60 -70.62 -50.55 35.76 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.614 -0.266 . . . . 1.0 111.612 -173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -74.9 -27.14 60.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.164 0.506 . . . . 1.0 109.78 177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.445 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -65.33 -29.83 70.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.746 -0.661 . . . . 1.0 110.189 173.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.521 ' HB2' ' O ' ' A' 1695 ' ' GLN . 19.0 mt -61.3 -45.94 92.35 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 116.2 -0.454 . . . . 1.0 109.867 171.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -54.67 -43.95 72.87 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 109.939 -0.393 . . . . 1.0 109.939 173.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 51.4 m -62.01 -58.61 7.23 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.237 178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . 0.791 HE21 ' HB2' ' A' 1744 ' ' ALA . 21.7 tt0 -61.0 -47.34 86.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.376 -174.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.585 ' O ' HG23 ' A' 1706 ' ' VAL . 65.3 mmm -66.0 -58.01 6.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 1.0 111.219 -178.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' 1703 ' ' LEU . 2.5 tm? -59.55 -45.5 91.62 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.914 -174.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 78.6 m -58.74 -43.31 90.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 1.0 110.836 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.584 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.13 -46.96 84.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.902 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.839 HG12 HG13 ' A' 1807 ' ' VAL . 62.1 t -63.91 -40.55 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.67 -174.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -64.17 -46.94 81.8 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.968 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -65.09 -33.74 76.75 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.784 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.72 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -60.26 -55.9 21.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 109.45 -0.574 . . . . 1.0 109.45 171.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.513 ' HA ' HD12 ' A' 1713 ' ' ILE . 35.5 t -49.67 -45.65 48.91 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.156 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.96 -32.82 72.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.386 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.904 HD11 ' HB2' ' A' 1734 ' ' MET . 1.3 pp -91.78 -16.44 26.83 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.85 -0.34 . . . . 1.0 111.127 -178.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.895 HG22 HG23 ' A' 1800 ' ' VAL . 61.7 mt -61.21 -40.94 87.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 110.306 -0.257 . . . . 1.0 110.306 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.542 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 36.9 mt-10 -59.57 -61.47 7.8 Favored Pre-proline 0 CA--C 1.541 0.626 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.023 177.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.542 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 22.9 Cg_endo -61.09 -26.8 83.34 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 122.376 2.05 . . . . 1.0 113.104 -179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -67.74 -48.81 65.38 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.08 99.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.116 0.484 . . . . 1.0 110.799 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . 0.406 ' O ' ' HG2' ' A' 1721 ' ' ARG . 22.8 t -64.75 -38.32 90.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.804 -0.634 . . . . 1.0 111.322 178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.488 ' CB ' ' HE3' ' A' 1730 ' ' LYS . . . -76.54 -39.04 54.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.632 0.253 . . . . 1.0 111.296 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.447 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -53.53 -38.17 63.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.703 -177.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' 1718 ' ' SER . 4.3 ptp85 -77.28 -13.4 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.388 0.514 . . . . 1.0 112.388 -175.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.05 -57.43 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.936 0.717 . . . . 1.0 112.936 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -92.53 91.22 7.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.047 0.451 . . . . 1.0 111.204 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.634 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -75.32 -35.19 61.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.053 -0.521 . . . . 1.0 111.914 -175.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 6.9 m -62.99 -32.09 73.37 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.007 -0.542 . . . . 1.0 111.346 -175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' 1730 ' ' LYS . 46.7 mt-30 -95.51 -25.13 16.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.988 0.423 . . . . 1.0 109.876 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' 1720 ' ' ALA . 11.6 tp -52.61 -44.64 66.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.189 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -57.07 -37.17 78.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.633 -0.794 . . . . 1.0 112.111 177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -66.6 -34.07 77.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 1.0 110.412 -178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.488 ' HE3' ' CB ' ' A' 1719 ' ' ALA . 9.2 mmtt -67.08 -51.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 176.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.474 HG13 HD22 ' A' 1776 ' ' LEU . 65.0 t -58.22 -44.64 88.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-N 115.027 -0.988 . . . . 1.0 111.531 -176.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 50.6 m -52.87 -45.7 67.56 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.867 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -70.39 -46.82 63.26 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.024 -0.535 . . . . 1.0 111.487 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.904 ' HB2' HD11 ' A' 1712 ' ' LEU . 51.6 ttm -60.39 -46.0 91.55 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.846 0.355 . . . . 1.0 110.998 -175.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.78 -30.88 68.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.374 0.607 . . . . 1.0 109.913 -177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.48 ' O ' ' HD2' ' A' 1740 ' ' PRO . 4.9 tt0 -61.6 -48.44 80.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.719 -1.128 . . . . 1.0 111.325 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -68.44 -33.01 73.44 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.732 0.301 . . . . 1.0 111.32 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.573 ' CE2' HD13 ' A' 1709 ' ' ILE . 7.8 m-85 -66.35 -23.34 66.33 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.452 0.538 . . . . 1.0 112.452 -176.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.432 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 38.7 tt0 -67.41 -59.23 7.42 Favored Pre-proline 0 CA--C 1.538 0.497 0 C-N-CA 120.19 -0.604 . . . . 1.0 111.067 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.5 Cg_endo -61.91 -33.63 83.53 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.461 1.44 . . . . 1.0 112.032 174.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.526 HD12 ' SD ' ' A' 1702 ' ' MET . 39.6 tp -59.37 -47.71 84.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.162 0.506 . . . . 1.0 109.98 178.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.797 HG23 ' HG ' ' A' 1675 ' ' LEU . 28.2 m -57.72 -55.06 39.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.529 -0.759 . . . . 1.0 110.751 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.4 -34.63 77.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.933 0.397 . . . . 1.0 111.388 -177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.791 ' HB2' HE21 ' A' 1701 ' ' GLN . . . -68.25 -41.45 81.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.459 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -71.42 -35.79 71.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.548 -0.296 . . . . 1.0 111.074 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' 1742 ' ' THR . 89.4 t -63.06 -39.07 83.79 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 174.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.88 -45.8 95.44 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.946 173.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.42 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -55.09 -34.51 63.7 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 122.515 0.326 . . . . 1.0 111.346 177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.526 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -60.71 -55.3 34.81 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.918 0.39 . . . . 1.0 111.563 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 57.9 m -81.43 -22.56 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.469 -0.492 . . . . 1.0 111.967 -174.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.43 ' HE2' ' HA ' ' A' 1694 ' ' SER . 52.8 tttp -88.15 -40.95 13.33 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.793 0.294 . . . . 1.0 111.793 -176.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.568 HG23 ' HB2' ' A' 1821 ' ' ALA . 94.1 m -83.17 102.36 11.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.176 0.512 . . . . 1.0 110.46 -179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 84.5 mt -110.19 91.84 3.81 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.253 -0.647 . . . . 1.0 109.253 176.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 15.8 t -162.57 -145.25 0.1 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.224 -0.898 . . . . 1.0 108.73 -173.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.476 ' HB3' ' CD ' ' A' 1756 ' ' PRO . 50.6 m80 -67.91 172.04 4.68 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 175.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.476 ' CD ' ' HB3' ' A' 1755 ' ' HIS . 51.7 Cg_exo -57.91 8.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 123.546 2.83 . . . . 1.0 115.546 -174.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.457 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 16.5 mm-40 -56.63 -37.28 70.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.097 0.475 . . . . 1.0 110.324 174.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.43 -40.72 92.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.281 -0.872 . . . . 1.0 111.265 176.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 24.5 mmt -80.12 -29.65 38.98 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.662 -178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -64.54 -55.02 23.25 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.473 -175.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.401 HD12 ' H ' ' A' 1762 ' ' LEU . 0.3 OUTLIER -69.49 -28.74 66.33 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 119.77 -0.772 . . . . 1.0 110.751 -179.001 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.7 tp -61.79 -57.44 11.87 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.09 0.471 . . . . 1.0 110.431 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.06 -35.29 71.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.45 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.12 -35.75 76.75 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.52 0.192 . . . . 1.0 111.52 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 95.5 m -62.82 -41.54 99.35 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.242 0.544 . . . . 1.0 109.534 174.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.547 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.3 tmtt? -66.07 -39.11 89.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.241 176.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 96.9 m -60.36 -46.26 90.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.552 174.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.434 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 63.3 tp -62.49 -36.77 83.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.22 176.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.77 88.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.877 176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.3 mt-10 -63.36 -44.37 95.0 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.994 0.426 . . . . 1.0 110.1 174.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 28.6 m -62.88 -39.57 94.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.635 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.79 -35.42 77.01 Favored 'General case' 0 CA--C 1.517 -0.317 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.793 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' 1668 ' ' LEU . 17.2 tp -65.49 -44.72 86.17 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.324 -0.621 . . . . 1.0 109.324 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.23 -38.21 85.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.777 -0.647 . . . . 1.0 109.945 174.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.793 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.27 -53.58 50.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.445 -0.798 . . . . 1.0 110.118 177.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.474 HD22 HG13 ' A' 1731 ' ' VAL . 61.9 mt -63.82 -32.0 73.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 121.13 -0.228 . . . . 1.0 111.186 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.504 ' HA ' HD11 ' A' 1665 ' ' ILE . 2.6 m-85 -63.36 -50.57 69.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.737 0.303 . . . . 1.0 111.048 175.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.2 p -70.01 -37.86 75.76 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.35 -24.7 67.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 1.0 110.607 175.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -72.09 -58.7 3.21 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.979 -0.555 . . . . 1.0 109.91 176.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' 1792 ' ' THR . 40.2 mt-10 -63.72 -38.57 91.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.61 -175.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.92 -15.18 54.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.28 -0.418 . . . . 1.0 112.022 -178.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.95 97.67 0.01 OUTLIER Glycine 0 C--N 1.334 0.424 0 O-C-N 123.961 0.788 . . . . 1.0 114.883 -168.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.634 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 73.21 11.22 79.33 Favored Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 115.495 -0.353 . . . . 1.0 112.508 175.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 1.022 HD21 ' HB2' ' A' 1788 ' ' GLN . 20.7 t30 -136.5 92.14 15.5 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-O 121.202 0.525 . . . . 1.0 110.597 -175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -80.63 -14.81 11.27 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 122.545 2.163 . . . . 1.0 112.239 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.43 -51.79 8.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.544 -173.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 1.022 ' HB2' HD21 ' A' 1785 ' ' ASN . 16.8 mm100 -97.94 26.79 4.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.871 0.367 . . . . 1.0 111.121 -177.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.685 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -144.91 40.4 1.26 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 1.0 111.249 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -57.33 -60.27 3.89 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.791 -177.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -72.54 -15.84 61.77 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.999 0.428 . . . . 1.0 110.736 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.685 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 68.2 m -71.39 -42.74 67.99 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.236 177.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' 1789 ' ' ALA . 78.1 mt-30 -64.97 -32.49 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.481 177.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -61.24 -49.62 76.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.309 175.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.63 -27.45 62.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.447 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.5 tp -59.21 -30.71 68.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.041 -0.527 . . . . 1.0 109.982 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 76.4 mt-10 -77.07 -41.92 40.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.834 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.14 -41.7 79.6 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.94 -0.573 . . . . 1.0 109.98 173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -66.62 -49.88 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.694 -0.684 . . . . 1.0 112.133 -178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.895 HG23 HG22 ' A' 1713 ' ' ILE . 7.7 p -60.12 -39.47 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-O 120.805 0.335 . . . . 1.0 110.585 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -68.99 -42.94 75.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.639 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 48.7 tpp -61.81 -46.07 91.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.923 -178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.716 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.0 mtp -59.38 -50.56 73.5 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.934 -0.306 . . . . 1.0 110.249 176.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 95.5 m -51.79 -43.63 63.13 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.864 -0.607 . . . . 1.0 111.952 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -75.25 -29.14 60.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.718 0.294 . . . . 1.0 111.249 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.17 -27.08 53.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 1.0 109.74 178.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.839 HG13 HG12 ' A' 1706 ' ' VAL . 49.7 t -58.68 -55.64 21.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.285 -0.87 . . . . 1.0 110.499 174.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -65.03 -37.32 87.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.169 -0.468 . . . . 1.0 109.833 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.57 -56.93 12.88 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.294 -0.866 . . . . 1.0 111.248 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.642 HD23 HG21 ' A' 1706 ' ' VAL . 17.8 tp -67.14 -40.67 86.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.392 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 18.3 m -52.24 -41.52 62.86 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.905 -0.588 . . . . 1.0 111.514 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.631 ' O ' ' HG3' ' A' 1816 ' ' GLU . 80.4 m -56.1 -56.91 15.12 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.574 -0.284 . . . . 1.0 110.63 176.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 14.9 m -60.07 -38.13 81.96 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.941 0.401 . . . . 1.0 111.265 -178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' 1702 ' ' MET . 90.8 mt -64.92 -41.62 95.4 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.019 0.438 . . . . 1.0 111.562 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.24 -27.43 63.47 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.55 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.631 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.2 mt-10 -73.85 -52.0 14.45 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 177.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.873 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -52.34 -27.67 16.32 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.407 -0.815 . . . . 1.0 113.062 -173.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.0 -49.69 62.81 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.32 0.387 . . . . 1.0 111.09 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 53.7 p -104.26 -20.73 13.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.852 0.358 . . . . 1.0 110.716 177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.873 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -58.86 -35.9 73.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.568 ' HB2' HG23 ' A' 1752 ' ' THR . . . -123.57 7.05 8.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.046 -0.524 . . . . 1.0 111.212 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.984 0 CA-C-O 118.342 -1.254 . . . . 1.0 111.753 -178.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.792 0 N-CA-C 111.669 -0.572 . . . . 1.0 111.669 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 49.5 pt -76.35 -26.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.904 0.352 . . . . 1.0 110.131 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 54.31 81.91 0.25 Allowed Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.327 -0.852 . . . . 1.0 111.654 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.35 13.7 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.672 2.248 . . . . 1.0 111.756 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.43 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 12.3 m-85 -100.69 -167.63 1.46 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.302 -0.863 . . . . 1.0 109.136 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.9 t -167.91 89.21 0.28 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.381 0.61 . . . . 1.0 111.938 -175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 179.36 157.23 0.69 Allowed Pre-proline 0 C--O 1.237 0.421 0 CA-C-N 115.316 -0.857 . . . . 1.0 110.205 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.4 Cg_exo -60.31 147.41 93.91 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.452 2.102 . . . . 1.0 111.091 170.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 100.76 -34.29 5.72 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.162 -1.018 . . . . 1.0 112.638 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.43 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 0.1 OUTLIER -46.43 -49.11 18.58 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 122.562 0.345 . . . . 1.0 111.734 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.86 -55.3 35.84 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.55 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -53.53 -28.44 31.39 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.711 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.752 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.7 m -62.52 -57.13 12.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 1.0 111.117 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.665 ' HA ' ' HB ' ' A' 1665 ' ' ILE . 35.8 tt0 -71.29 -28.15 63.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.006 -0.678 . . . . 1.0 110.314 -178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 44.6 m -55.97 -45.94 78.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.221 0.534 . . . . 1.0 109.941 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.21 -38.64 60.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.773 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.665 ' HB ' ' HA ' ' A' 1662 ' ' GLU . 22.2 mt -55.65 -42.02 67.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.18 -0.464 . . . . 1.0 111.242 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.84 -42.09 98.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 1.0 111.019 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.56 64.51 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.373 0.606 . . . . 1.0 110.602 -178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.793 HD12 ' SG ' ' A' 1671 ' ' CYS . 55.9 tp -69.75 -32.64 71.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.399 -0.819 . . . . 1.0 110.466 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' 1673 ' ' ARG . 32.8 t-20 -63.71 -41.78 98.05 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.653 -0.869 . . . . 1.0 108.653 176.258 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.1 t -59.56 -47.43 85.58 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.883 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.793 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.6 p -72.07 -29.82 64.5 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-O 120.888 0.375 . . . . 1.0 110.339 -176.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 51.2 tp -63.85 -43.3 96.56 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.192 176.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.549 ' HG3' ' O ' ' A' 1669 ' ' ASN . 31.7 mtp-105 -65.52 -46.05 81.13 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.673 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -60.33 -36.78 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.588 -0.278 . . . . 1.0 111.057 179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.82 ' HG ' HG23 ' A' 1742 ' ' THR . 25.9 mt -67.78 -43.75 79.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.994 0.426 . . . . 1.0 111.058 176.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.3 t70 -64.35 -35.98 82.64 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.167 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . 0.51 ' HG2' ' O ' ' A' 1673 ' ' ARG . 13.6 mm100 -72.34 -29.75 64.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 1.0 110.379 177.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -66.39 -43.08 86.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 1.0 110.196 175.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.4 t -59.26 -45.42 91.24 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.067 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 65.3 tp -62.65 -38.18 89.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.89 177.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -65.93 -45.37 82.1 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.637 178.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.416 ' HB2' HD11 ' A' 1687 ' ' LEU . . . -56.59 -47.78 78.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.606 178.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -73.21 -8.85 12.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 121.104 0.478 . . . . 1.0 111.211 -176.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 11.1 m -120.79 6.87 10.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.478 -0.328 . . . . 1.0 111.771 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 56.6 46.68 19.94 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.229 0.538 . . . . 1.0 111.233 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -128.19 24.25 5.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.892 -0.595 . . . . 1.0 110.635 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.631 ' HB3' ' HB3' ' A' 1750 ' ' SER . 21.4 mt -71.31 127.95 34.28 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.292 -0.413 . . . . 1.0 111.741 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -78.8 140.57 58.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.697 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.24 149.78 15.77 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.17 2.58 . . . . 1.0 113.015 -177.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.565 HH21 ' HA ' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.51 163.41 1.78 Allowed 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 115.635 -0.712 . . . . 1.0 112.046 -177.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.478 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 16.2 mm-40 -75.74 44.64 0.3 Allowed 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.557 -0.747 . . . . 1.0 112.07 -173.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 59.73 66.62 2.63 Favored Glycine 0 C--N 1.33 0.24 0 N-CA-C 111.808 -0.517 . . . . 1.0 111.808 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.584 HD11 ' HB1' ' A' 1697 ' ' ALA . 10.0 tp -154.11 145.42 14.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 120.624 0.249 . . . . 1.0 110.541 -171.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.58 ' HA ' ' HE2' ' A' 1751 ' ' LYS . 13.3 p -87.06 173.17 9.45 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 116.579 -0.282 . . . . 1.0 111.282 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 24.8 tp60 -69.86 -49.71 49.77 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 112.421 0.526 . . . . 1.0 112.421 -169.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.418 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.0 OUTLIER -69.76 -27.79 65.22 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.146 0.498 . . . . 1.0 109.915 -178.841 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.584 ' HB1' HD11 ' A' 1693 ' ' ILE . . . -70.3 -36.12 74.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.427 177.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.409 HD21 HG21 ' A' 1693 ' ' ILE . 46.1 mt -58.12 -43.74 87.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.208 0.528 . . . . 1.0 109.773 171.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' 1696 ' ' GLU . 13.2 t-160 -58.92 -53.46 58.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.323 -0.853 . . . . 1.0 110.25 175.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 56.6 m -63.48 -49.28 74.24 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.205 0.446 . . . . 1.0 112.205 -177.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.58 -48.19 80.03 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 120.835 0.35 . . . . 1.0 111.259 -177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.604 ' O ' HG23 ' A' 1706 ' ' VAL . 90.6 mtp -70.66 -48.62 53.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.823 -177.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.587 HD23 HG23 ' A' 1811 ' ' THR . 2.1 tm? -55.94 -48.24 76.09 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.125 0.266 . . . . 1.0 110.505 -178.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 51.9 m -60.51 -45.22 94.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.679 0.276 . . . . 1.0 110.978 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.594 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.74 -49.69 76.48 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.48 -0.327 . . . . 1.0 110.998 179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.859 HG12 HG13 ' A' 1807 ' ' VAL . 66.5 t -57.34 -44.66 84.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.52 -177.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -59.72 -48.49 81.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.687 0.279 . . . . 1.0 111.047 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -61.5 -35.24 77.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.14 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.675 ' O ' HG13 ' A' 1713 ' ' ILE . 77.4 mt -64.58 -57.98 9.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.016 174.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.591 ' HA ' HD12 ' A' 1713 ' ' ILE . 29.9 t -52.02 -41.53 62.32 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.05 -177.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 58.5 t60 -59.21 -34.56 72.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.165 -0.925 . . . . 1.0 110.99 -179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.885 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -93.31 -17.32 23.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.686 0.254 . . . . 1.0 111.686 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.839 HG22 HG23 ' A' 1800 ' ' VAL . 66.2 mt -60.73 -47.97 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 120.667 0.27 . . . . 1.0 111.223 -175.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' 1715 ' ' PRO . 48.2 mt-10 -65.29 -52.67 44.94 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.374 -0.375 . . . . 1.0 111.395 -177.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.486 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 11.6 Cg_endo -56.23 -35.81 95.98 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.289 1.993 . . . . 1.0 112.718 175.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 1.008 HD13 ' HE3' ' A' 1734 ' ' MET . 7.4 tt -63.71 -45.78 88.41 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.08 98.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 1.0 111.023 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 14.8 t -70.78 -31.19 67.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.525 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' 1723 ' ' GLU . . . -71.87 -55.27 7.83 Favored 'General case' 0 C--O 1.215 -0.753 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.178 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -52.47 -42.5 64.27 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.709 0.633 . . . . 1.0 112.709 -174.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -65.47 -11.91 47.67 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.205 0.816 . . . . 1.0 113.205 -172.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -149.62 -45.76 0.13 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.127 0.417 . . . . 1.0 112.127 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.3 OUTLIER -84.71 161.66 19.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.409 -177.425 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.629 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -135.1 -47.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -176.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 55.7 p -59.89 -34.69 73.5 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.582 0.586 . . . . 1.0 112.582 -172.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.419 ' O ' ' HG2' ' A' 1730 ' ' LYS . 41.8 mt-30 -94.21 -26.4 16.67 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.304 0.573 . . . . 1.0 109.863 -176.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.465 HD13 ' HB2' ' A' 1720 ' ' ALA . 8.2 tp -56.16 -47.69 77.75 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.83 -1.077 . . . . 1.0 111.858 -178.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.79 -33.29 42.36 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.021 -0.609 . . . . 1.0 112.629 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 61.9 m170 -80.17 -21.78 42.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 1.0 111.197 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' 1726 ' ' GLN . 56.8 mmtt -74.72 -46.39 37.86 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 176.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.913 HG13 HD22 ' A' 1776 ' ' LEU . 58.2 t -57.75 -45.87 86.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.362 -177.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 5.1 p -60.93 -42.75 98.73 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.002 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -64.77 -44.6 89.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.548 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 1.008 ' HE3' HD13 ' A' 1716 ' ' LEU . 53.5 ttm -61.91 -49.44 76.17 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.804 0.335 . . . . 1.0 111.152 -176.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.22 -27.79 67.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.728 -176.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -62.46 -38.13 88.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.439 -0.8 . . . . 1.0 111.775 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.4 ' HB2' HG12 ' A' 1709 ' ' ILE . 65.1 m-85 -76.23 -27.7 56.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.889 0.375 . . . . 1.0 111.061 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE2' HD13 ' A' 1709 ' ' ILE . 26.4 m-85 -69.71 -22.93 63.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 1.0 111.49 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.497 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 38.4 tt0 -60.71 -59.04 15.12 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.054 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.497 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 19.9 Cg_endo -68.06 -32.59 27.58 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.418 1.412 . . . . 1.0 112.315 174.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.573 HD11 HG22 ' A' 1706 ' ' VAL . 0.4 OUTLIER -55.64 -50.98 68.74 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.82 HG23 ' HG ' ' A' 1675 ' ' LEU . 24.2 m -55.11 -55.66 28.58 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.359 -0.837 . . . . 1.0 111.191 175.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.478 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 83.3 mt -61.57 -41.3 97.2 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.892 0.377 . . . . 1.0 111.276 -176.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -66.57 -37.67 85.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.68 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -64.93 -42.95 94.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.099 178.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' 1742 ' ' THR . 11.2 t -65.25 -29.73 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.547 -0.538 . . . . 1.0 109.547 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -64.8 -48.23 74.35 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.705 -0.68 . . . . 1.0 112.016 174.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.56 -30.97 71.7 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 120.729 0.299 . . . . 1.0 110.864 177.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -58.1 -56.53 20.87 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.065 0.46 . . . . 1.0 110.829 175.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 22.5 p -81.23 -19.84 42.31 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.507 -0.477 . . . . 1.0 111.933 -173.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' 1694 ' ' SER . 40.7 tttp -92.8 -40.67 10.53 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.577 0.584 . . . . 1.0 112.577 -176.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' 1758 ' ' GLN . 89.2 m -84.88 81.35 8.93 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.364 0.602 . . . . 1.0 111.936 -173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.6 87.3 5.05 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.396 -0.964 . . . . 1.0 108.396 169.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 21.1 t -146.44 -59.05 0.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.188 -0.915 . . . . 1.0 109.964 -172.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.549 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 51.6 m80 -152.46 172.2 5.81 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.339 -0.846 . . . . 1.0 109.127 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.549 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 79.7 Cg_exo -50.87 -17.96 3.79 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.877 2.384 . . . . 1.0 112.934 174.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.58 ' OE1' HG23 ' A' 1813 ' ' THR . 10.3 mm-40 -45.88 -41.16 10.96 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.329 0.652 . . . . 1.0 111.941 176.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.516 ' HB2' ' O ' ' A' 1752 ' ' THR . 5.8 tt0 -52.45 -57.4 10.01 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 123.444 0.698 . . . . 1.0 111.285 178.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 83.3 mtp -79.09 -27.76 43.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.848 -176.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.4 -54.15 44.47 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.995 -0.282 . . . . 1.0 110.657 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -68.36 -29.5 68.24 Favored 'General case' 0 C--O 1.225 -0.209 0 C-N-CA 120.342 -0.543 . . . . 1.0 109.703 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 60.4 tp -59.74 -56.11 25.92 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.664 -0.698 . . . . 1.0 110.397 175.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.65 -38.41 86.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -67.37 -35.16 78.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.436 -0.347 . . . . 1.0 111.771 -178.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.445 HG23 HD22 ' A' 1741 ' ' LEU . 84.8 m -63.34 -44.08 95.9 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.335 -0.617 . . . . 1.0 109.335 174.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.544 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 18.6 tttt -62.13 -42.46 99.27 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.228 -0.896 . . . . 1.0 110.424 176.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 42.9 m -60.5 -43.61 96.86 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.512 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.477 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 44.9 tp -64.85 -34.61 78.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.119 176.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.41 -40.22 89.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.352 . . . . 1.0 110.592 175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' 1766 ' ' LYS . 42.2 mt-10 -64.36 -39.98 94.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.014 0.435 . . . . 1.0 109.902 174.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -43.76 97.94 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.139 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.433 ' HB2' ' HE3' ' A' 1803 ' ' MET . . . -65.86 -37.78 87.09 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.932 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.408 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 14.5 tp -64.94 -44.65 88.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.04 -40.08 88.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.726 175.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.764 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -63.61 -53.52 50.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.206 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.913 HD22 HG13 ' A' 1731 ' ' VAL . 41.9 mt -64.41 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.315 -0.154 . . . . 1.0 111.399 -178.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.408 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 3.5 m-85 -62.56 -50.59 70.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.696 0.284 . . . . 1.0 110.91 176.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 13.7 p -69.43 -32.04 70.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.53 -30.65 71.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.851 0.358 . . . . 1.0 110.641 175.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.621 ' HB2' ' HB3' ' A' 1661 ' ' CYS . 75.5 tttt -70.71 -40.94 72.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 1.0 110.656 176.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' 1792 ' ' THR . 40.7 mt-10 -75.21 -49.24 20.03 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.978 -0.555 . . . . 1.0 111.426 -177.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.589 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.56 -20.01 37.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.076 -0.511 . . . . 1.0 111.756 -175.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -51.7 96.65 0.02 OUTLIER Glycine 0 C--N 1.331 0.293 0 O-C-N 124.21 0.944 . . . . 1.0 114.367 -170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.629 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.24 22.26 67.04 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.13 -0.557 . . . . 1.0 111.801 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.761 HD21 ' HB2' ' A' 1788 ' ' GLN . 49.1 t30 -138.32 71.91 45.66 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-O 121.039 0.447 . . . . 1.0 110.303 -174.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.41 -16.23 24.64 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.725 2.283 . . . . 1.0 112.173 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' 1788 ' ' GLN . 12.3 ptmm? -74.47 -41.21 61.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.835 -177.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.761 ' HB2' HD21 ' A' 1785 ' ' ASN . 4.0 mp0 -93.57 -1.32 55.6 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.927 0.394 . . . . 1.0 110.849 177.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -104.85 109.57 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.648 179.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -119.69 -67.73 0.96 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 175.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 58.3 m80 -74.42 -24.85 59.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.909 -0.587 . . . . 1.0 109.433 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.682 HG21 ' HB2' ' A' 1781 ' ' GLU . 87.7 m -63.84 -36.12 82.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.279 178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.403 ' O ' ' HG3' ' A' 1797 ' ' GLU . 15.5 mm100 -57.92 -46.75 84.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.352 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -69.31 -42.74 75.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.584 -0.735 . . . . 1.0 110.585 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.687 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -69.28 -30.19 68.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.84 -177.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' 1720 ' ' ALA . 51.0 tp -63.01 -29.84 71.13 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.412 0.625 . . . . 1.0 109.456 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' 1793 ' ' GLN . 36.9 mt-10 -79.99 -34.3 38.69 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.219 -178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.687 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 13.0 pt-20 -76.52 -26.08 54.85 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.42 -0.512 . . . . 1.0 109.784 177.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -70.97 -43.99 66.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.935 -0.575 . . . . 1.0 111.154 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.839 HG23 HG22 ' A' 1713 ' ' ILE . 8.4 p -63.19 -38.93 83.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 C-N-CA 120.892 -0.323 . . . . 1.0 110.262 178.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.33 -44.86 90.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.014 0.435 . . . . 1.0 110.21 175.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 45.8 ttm -56.65 -49.84 73.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.755 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.789 ' HB3' HD13 ' A' 1713 ' ' ILE . 73.3 mtp -62.54 -51.61 66.73 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.577 -0.283 . . . . 1.0 110.915 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.46 ' O ' ' HB ' ' A' 1807 ' ' VAL . 89.7 m -52.16 -47.27 65.54 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.417 0.448 . . . . 1.0 111.68 -176.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -66.04 -36.81 84.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.914 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -74.93 -27.55 60.25 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.348 0.594 . . . . 1.0 110.161 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.859 HG13 HG12 ' A' 1706 ' ' VAL . 34.1 t -57.86 -54.05 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.177 -0.92 . . . . 1.0 110.305 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -67.0 -32.83 74.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.9 178.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -61.71 -54.8 37.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.659 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.524 HD23 HG21 ' A' 1706 ' ' VAL . 23.5 tp -64.85 -43.34 93.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.344 178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.587 HG23 HD23 ' A' 1703 ' ' LEU . 29.0 m -55.54 -40.47 71.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.249 179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.544 ' O ' ' HG3' ' A' 1816 ' ' GLU . 91.2 m -56.93 -53.34 59.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.806 -0.179 . . . . 1.0 110.531 176.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.58 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.0 m -59.76 -42.45 93.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.022 0.439 . . . . 1.0 110.99 -179.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.8 mt -62.47 -46.69 87.36 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 121.364 0.602 . . . . 1.0 111.251 178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -28.51 64.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.598 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.544 ' HG3' ' O ' ' A' 1812 ' ' THR . 39.6 mt-10 -74.54 -35.74 63.13 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.14 -0.689 . . . . 1.0 109.14 174.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.6 -15.53 4.57 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.447 -0.797 . . . . 1.0 112.237 -177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -52.05 -49.2 63.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.014 0.435 . . . . 1.0 110.103 172.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 9.6 m -105.09 -28.88 10.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.797 176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.456 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -79.91 -5.73 56.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.911 -0.586 . . . . 1.0 112.443 -172.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -129.48 165.64 21.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.555 0.217 . . . . 1.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.333 -1.259 . . . . 1.0 111.341 179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 112.336 -0.306 . . . . 1.0 112.336 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.569 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -132.66 173.03 15.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.16 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -119.43 99.27 50.18 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.456 0.646 . . . . 1.0 110.358 174.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.08 -19.4 12.22 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.738 2.292 . . . . 1.0 111.807 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.556 ' HB3' ' OD1' ' A' 1785 ' ' ASN . 94.0 m-85 -105.24 -174.21 2.48 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 108.542 -0.91 . . . . 1.0 108.542 177.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 4.5 t -147.12 101.53 3.41 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.047 -0.661 . . . . 1.0 112.506 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . 178.95 146.93 0.38 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 114.846 -1.07 . . . . 1.0 109.964 177.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.65 130.48 28.17 Favored 'Trans proline' 0 N--CA 1.466 -0.145 0 C-N-CA 122.397 2.065 . . . . 1.0 110.793 173.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 107.56 -17.84 35.94 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.398 -0.906 . . . . 1.0 110.981 -175.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -53.74 -48.16 69.94 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 121.315 0.579 . . . . 1.0 110.071 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 9.0 tp -72.61 -40.79 66.22 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.658 -0.701 . . . . 1.0 110.457 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -56.46 -28.48 59.78 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.249 -177.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.791 ' HA ' HG11 ' A' 1731 ' ' VAL . 86.4 m -76.27 -43.57 41.13 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.936 -0.574 . . . . 1.0 110.399 178.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.617 ' HB2' ' HD2' ' A' 1780 ' ' LYS . 25.7 tt0 -73.69 -36.47 65.28 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.548 -0.297 . . . . 1.0 110.885 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 21.5 p -60.76 -46.09 91.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.128 0.489 . . . . 1.0 110.527 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -64.11 -34.84 78.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.11 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' 1661 ' ' CYS . 45.7 mt -57.78 -42.18 81.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.012 177.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.0 -35.42 80.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.873 0.368 . . . . 1.0 111.169 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.1 -43.94 41.03 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.255 0.55 . . . . 1.0 110.168 -179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.83 HD12 ' SG ' ' A' 1671 ' ' CYS . 37.8 tp -66.2 -33.27 75.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.561 -0.745 . . . . 1.0 110.055 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' 1673 ' ' ARG . 16.5 t-20 -59.99 -40.57 89.62 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.492 -0.776 . . . . 1.0 109.87 175.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 33.3 t -67.44 -38.23 84.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.031 -0.986 . . . . 1.0 111.231 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.83 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -76.1 -27.16 57.04 Favored 'General case' 0 C--N 1.335 -0.064 0 C-N-CA 120.402 -0.519 . . . . 1.0 109.871 179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.492 HD12 ' HG2' ' A' 1766 ' ' LYS . 46.2 tp -62.47 -44.38 96.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 1.0 109.973 175.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' 1669 ' ' ASN . 52.4 mtt180 -66.41 -41.09 89.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.373 178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 12.2 t70 -60.67 -47.23 87.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.192 179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.741 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 53.6 mt -65.74 -40.66 92.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 1.0 111.483 178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -62.51 -40.78 97.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.423 -178.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -76.3 -33.93 59.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.868 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.98 88.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.54 175.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.5 t -58.57 -43.79 89.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.516 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 71.2 mt -70.7 -41.83 71.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.1 -0.5 . . . . 1.0 111.011 -179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -67.28 -26.37 66.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.13 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.55 -21.7 61.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 1.0 111.144 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 46.1 t -70.93 -41.64 77.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.242 0.544 . . . . 1.0 110.003 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 17.0 p -90.97 -5.72 55.02 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.575 -0.739 . . . . 1.0 111.071 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 62.0 25.25 15.13 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.607 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -94.94 1.49 55.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.576 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.542 HD21 HG13 ' A' 1746 ' ' VAL . 51.3 tp -72.27 134.53 45.63 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.606 -0.725 . . . . 1.0 111.145 -177.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -62.41 152.42 79.92 Favored Pre-proline 0 C--O 1.235 0.313 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.922 177.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.47 ' HA ' ' OG ' ' A' 1750 ' ' SER . 32.6 Cg_endo -63.53 -176.95 0.35 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.349 2.699 . . . . 1.0 114.03 -175.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.569 ' HG2' ' HD2' ' A' 1751 ' ' LYS . 0.1 OUTLIER -60.05 166.79 2.6 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.323 -0.853 . . . . 1.0 112.563 -178.206 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -37.96 89.12 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.402 -179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 152.01 52.96 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.758 -0.734 . . . . 1.0 112.666 175.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.567 ' H ' ' HD3' ' A' 1690 ' ' ARG . 5.2 tp -150.52 168.95 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.935 0.368 . . . . 1.0 110.414 178.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 5.3 p -77.53 169.98 17.37 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.991 0.425 . . . . 1.0 111.779 -178.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -65.46 -47.18 76.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.5 . . . . 1.0 112.269 -172.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.418 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 7.1 tp10 -67.05 -35.32 79.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.762 -0.458 . . . . 1.0 109.762 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.03 89.47 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.581 -0.736 . . . . 1.0 110.172 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 49.7 mt -56.59 -46.11 81.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.915 0.388 . . . . 1.0 110.385 173.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.418 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 22.0 m170 -59.81 -52.39 65.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.807 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 10.9 m -64.34 -44.3 91.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.2 -178.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -56.49 -47.78 78.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.865 0.364 . . . . 1.0 110.902 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.56 ' HE2' HD21 ' A' 1814 ' ' LEU . 78.2 mtp -64.53 -43.62 93.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.642 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.666 HD22 HD21 ' A' 1815 ' ' ASN . 40.4 tp -64.03 -44.02 93.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.878 179.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 89.4 m -56.39 -48.21 77.37 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.913 0.387 . . . . 1.0 110.135 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.578 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.94 -48.5 78.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.157 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.582 HG12 ' HA ' ' A' 1703 ' ' LEU . 6.6 p -65.97 -36.05 76.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.341 0.591 . . . . 1.0 110.765 -172.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -69.66 -44.12 71.2 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.205 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -61.4 -38.12 85.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.85 0.357 . . . . 1.0 110.64 177.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.603 ' O ' HG13 ' A' 1713 ' ' ILE . 91.9 mt -59.51 -52.3 62.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.074 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.707 ' HB2' HG11 ' A' 1807 ' ' VAL . 23.0 t -54.0 -40.74 67.25 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.891 -0.595 . . . . 1.0 111.026 -179.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 34.0 m170 -59.8 -35.59 75.0 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.215 -178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -91.9 -17.26 25.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.67 -0.241 . . . . 1.0 111.232 -178.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.725 HD13 ' HB3' ' A' 1803 ' ' MET . 31.5 mt -60.68 -45.54 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.609 0.242 . . . . 1.0 110.943 -178.116 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.41 ' N ' ' HD2' ' A' 1715 ' ' PRO . 65.4 mm-40 -60.2 -57.29 27.74 Favored Pre-proline 0 CA--C 1.54 0.592 0 N-CA-C 112.14 0.422 . . . . 1.0 112.14 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.41 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.0 Cg_endo -61.23 -33.8 89.54 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 122.359 2.039 . . . . 1.0 113.007 179.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.909 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -63.67 -45.0 92.1 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 110.401 -0.222 . . . . 1.0 110.401 -178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.37 92.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.03 0.443 . . . . 1.0 110.769 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . 0.503 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 20.1 t -71.21 -32.21 68.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.986 -0.552 . . . . 1.0 111.202 178.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.84 -44.2 50.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.562 -0.29 . . . . 1.0 110.956 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.08 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.833 0.349 . . . . 1.0 111.673 -177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.503 ' NE ' ' HA ' ' A' 1718 ' ' SER . 34.0 ptt180 -74.56 -13.01 60.61 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.331 0.493 . . . . 1.0 112.331 -176.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.89 -62.21 0.15 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.923 0.712 . . . . 1.0 112.923 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -79.52 94.67 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.295 0.48 . . . . 1.0 112.295 -173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.84 -31.0 63.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.016 178.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.4 m -64.04 -34.13 77.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.974 -174.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.68 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 39.6 mt-30 -96.08 -28.85 14.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.235 0.54 . . . . 1.0 110.104 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.12 -48.37 70.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.839 -1.073 . . . . 1.0 112.616 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -49.64 -41.36 34.24 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 121.163 -0.541 . . . . 1.0 112.979 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.46 ' O ' ' HG3' ' A' 1733 ' ' GLN . 6.6 m170 -71.79 -36.75 70.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.888 -0.184 . . . . 1.0 111.336 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.68 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 58.9 mmtt -59.05 -49.75 76.7 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.421 0.629 . . . . 1.0 109.821 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.791 HG11 ' HA ' ' A' 1661 ' ' CYS . 52.6 t -59.79 -42.57 89.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 114.883 -1.053 . . . . 1.0 111.172 -176.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . 0.643 ' O ' ' HG3' ' A' 1736 ' ' GLN . 48.8 m -62.37 -43.92 97.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.491 178.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.46 ' HG3' ' O ' ' A' 1729 ' ' HIS . 79.1 mt-30 -61.66 -44.5 96.85 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.271 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.909 ' HE3' HD13 ' A' 1716 ' ' LEU . 56.0 ttm -60.46 -39.35 87.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.933 0.397 . . . . 1.0 110.71 -177.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.36 67.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.717 -177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.643 ' HG3' ' O ' ' A' 1732 ' ' SER . 19.9 mt-30 -59.82 -50.54 73.41 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-N 115.767 -0.651 . . . . 1.0 111.043 -178.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.488 ' O ' ' HB2' ' A' 1741 ' ' LEU . 23.6 m-85 -73.48 -27.07 61.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.654 -171.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.528 ' CE2' HD13 ' A' 1709 ' ' ILE . 14.3 m-85 -68.03 -23.89 65.04 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.985 -0.286 . . . . 1.0 111.68 178.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.457 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 44.2 tt0 -61.66 -59.8 12.28 Favored Pre-proline 0 CA--C 1.541 0.631 0 CA-C-O 119.573 -0.251 . . . . 1.0 111.399 178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 27.6 Cg_endo -68.3 -32.71 25.77 Favored 'Trans proline' 0 C--N 1.359 1.098 0 C-N-CA 121.328 1.352 . . . . 1.0 112.138 176.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.705 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -58.42 -45.78 87.76 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 179.473 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.73 HG23 ' HG ' ' A' 1675 ' ' LEU . 47.4 m -59.53 -56.14 25.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.67 -0.695 . . . . 1.0 110.978 175.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 87.2 mt -61.1 -42.23 98.14 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.398 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -67.06 -36.86 82.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -68.36 -42.87 78.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.793 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' 1742 ' ' THR . 45.0 t -63.14 -37.65 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.502 ' CA ' ' HA ' ' A' 1690 ' ' ARG . . . -64.12 -39.18 96.92 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.92 -0.657 . . . . 1.0 112.318 176.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.467 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.9 -36.22 76.51 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 116.516 0.158 . . . . 1.0 111.221 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.783 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -58.01 -56.54 20.74 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.266 0.555 . . . . 1.0 111.102 178.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.47 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 4.2 p -76.48 -27.3 56.05 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.565 -0.454 . . . . 1.0 111.931 -173.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.569 ' HD2' ' HG2' ' A' 1690 ' ' ARG . 61.4 tttp -91.07 -37.72 13.24 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.291 0.478 . . . . 1.0 112.291 -172.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.523 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 52.4 m -72.55 132.43 43.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.092 0.472 . . . . 1.0 110.593 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 95.5 mt -83.72 -15.4 48.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.155 -176.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . 0.418 ' H ' HG22 ' A' 1752 ' ' THR . 18.6 m -88.69 100.29 13.01 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.603 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 37.2 m170 -60.03 -53.36 65.97 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 112.83 0.678 . . . . 1.0 112.83 -171.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' 1755 ' ' HIS . 21.9 Cg_endo -61.59 -23.48 76.53 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 121.789 1.659 . . . . 1.0 112.463 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.528 ' HG2' ' HB2' ' A' 1821 ' ' ALA . 4.9 tp-100 -88.8 -41.43 12.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.659 -177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.669 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 2.5 pt20 -61.04 -39.79 91.15 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.231 0.538 . . . . 1.0 109.591 178.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . 0.541 ' N ' ' HG2' ' A' 1758 ' ' GLN . 82.2 mtp -78.75 -28.85 44.89 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.674 -0.694 . . . . 1.0 110.888 -177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' 1764 ' ' GLN . . . -60.6 -54.99 38.67 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.812 -0.355 . . . . 1.0 110.63 -178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.467 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.5 pp -72.13 -27.8 62.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.184 0.516 . . . . 1.0 110.013 -178.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.783 HD22 ' HB2' ' A' 1749 ' ' ALA . 54.5 tp -61.71 -53.79 51.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.365 175.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.93 -36.68 82.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.459 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' 1760 ' ' ALA . 14.6 mm100 -61.28 -40.16 93.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.137 177.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.705 HG23 HD22 ' A' 1741 ' ' LEU . 74.8 m -63.42 -44.11 95.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.296 0.569 . . . . 1.0 110.201 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 14.5 tmtt? -65.65 -39.14 91.09 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.471 178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 84.9 m -61.4 -41.58 97.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.903 -0.59 . . . . 1.0 110.293 173.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.466 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 64.3 tp -63.8 -36.57 84.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.311 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.55 -41.64 98.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.624 175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -62.23 -41.41 98.38 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.111 0.482 . . . . 1.0 110.156 174.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 16.5 m -62.64 -44.78 95.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.318 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1668 ' ' LEU . . . -70.03 -33.26 71.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.944 -0.571 . . . . 1.0 111.298 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 13.3 tp -64.38 -43.1 95.54 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -65.13 -35.7 81.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.811 -0.631 . . . . 1.0 109.893 174.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.734 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -62.67 -54.38 40.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.835 -0.621 . . . . 1.0 109.675 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.727 HD22 HG13 ' A' 1731 ' ' VAL . 57.9 mt -60.86 -34.93 75.35 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.591 0.234 . . . . 1.0 110.643 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -51.35 68.61 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.947 0.403 . . . . 1.0 111.392 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 17.9 p -71.22 -40.75 70.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.297 -0.411 . . . . 1.0 111.068 -178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -65.41 -25.15 67.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.974 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.617 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 33.0 ttpt -67.53 -58.57 4.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.17 0.51 . . . . 1.0 110.098 177.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -71.82 -34.24 69.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.847 -0.615 . . . . 1.0 111.938 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' 1792 ' ' THR . . . -81.58 -17.3 48.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.616 0.246 . . . . 1.0 110.842 177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.05 94.85 0.01 OUTLIER Glycine 0 C--N 1.331 0.273 0 O-C-N 124.291 0.994 . . . . 1.0 115.486 -167.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 90.07 1.53 75.89 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 121.582 -0.342 . . . . 1.0 112.446 167.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.556 ' OD1' ' HB3' ' A' 1653 ' ' PHE . 0.3 OUTLIER -142.39 86.07 10.19 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-O 121.46 0.648 . . . . 1.0 112.222 -179.439 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 37.4 Cg_endo -67.07 -21.12 49.6 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.365 2.044 . . . . 1.0 111.126 176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -80.26 -5.03 55.55 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.237 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -116.99 1.68 12.63 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.935 0.397 . . . . 1.0 110.822 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.892 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -141.01 124.12 16.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.794 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.68 -64.43 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.371 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.15 -21.93 61.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.911 0.386 . . . . 1.0 110.65 177.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.892 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 61.0 m -65.55 -33.37 75.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.949 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -63.32 -42.99 99.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.042 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -65.77 -46.29 79.32 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.493 -0.776 . . . . 1.0 110.793 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.31 -27.51 63.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 1.0 111.525 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.5 OUTLIER -60.39 -31.66 70.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.488 0.661 . . . . 1.0 109.253 175.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.478 ' HA ' HG12 ' A' 1800 ' ' VAL . 43.8 mt-10 -77.22 -31.02 54.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.374 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.693 ' HA ' HE21 ' A' 1801 ' ' GLN . 39.8 mt-10 -69.92 -34.19 73.16 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.0 176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . 0.41 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -71.36 -45.75 62.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.825 -0.625 . . . . 1.0 111.443 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' 1797 ' ' GLU . 7.5 p -62.57 -43.81 98.78 Favored 'Isoleucine or valine' 0 C--O 1.233 0.186 0 C-N-CA 121.129 -0.229 . . . . 1.0 111.187 -178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.693 HE21 ' HA ' ' A' 1798 ' ' GLU . 24.9 pt20 -70.79 -33.1 70.39 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 120.814 -0.354 . . . . 1.0 110.615 179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 27.0 ttt -61.88 -49.01 77.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.008 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.725 ' HB3' HD13 ' A' 1713 ' ' ILE . 50.4 mtp -61.83 -49.04 77.89 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 116.444 -0.344 . . . . 1.0 110.387 175.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 55.5 m -48.62 -49.81 35.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.666 0.604 . . . . 1.0 111.543 -179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.65 -42.49 77.91 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.557 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -69.14 -30.47 68.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.91 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.707 HG11 ' HB2' ' A' 1710 ' ' SER . 25.5 t -59.03 -55.31 24.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.496 175.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -66.36 -30.38 70.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.482 177.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.41 ' CG ' HE22 ' A' 1764 ' ' GLN . 21.9 t0 -68.77 -47.34 66.44 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.654 -0.703 . . . . 1.0 110.357 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.42 HD21 HD21 ' A' 1741 ' ' LEU . 17.0 tp -65.32 -45.82 82.77 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 174.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.482 HG23 HD13 ' A' 1703 ' ' LEU . 22.5 m -51.55 -40.64 60.08 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.315 178.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.469 ' O ' ' HG3' ' A' 1816 ' ' GLU . 56.5 m -58.87 -51.91 68.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.695 177.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 20.0 m -61.67 -39.97 93.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.827 0.346 . . . . 1.0 111.042 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.56 HD21 ' HE2' ' A' 1702 ' ' MET . 84.5 mt -64.43 -51.03 65.22 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.1 0.476 . . . . 1.0 111.442 178.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.666 HD21 HD22 ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.11 -25.12 65.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.376 -0.829 . . . . 1.0 111.337 -176.147 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' 1812 ' ' THR . 43.3 mt-10 -75.96 -48.83 19.61 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.737 -0.838 . . . . 1.0 108.737 172.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.411 ' HB1' ' HB3' ' A' 1821 ' ' ALA . . . -54.72 -20.0 7.44 Favored 'General case' 0 C--O 1.227 -0.093 0 CA-C-N 115.382 -0.826 . . . . 1.0 112.469 -176.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -49.88 -53.61 24.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.758 0.314 . . . . 1.0 110.541 174.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.8 m -103.48 -24.99 13.4 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.955 0.407 . . . . 1.0 110.83 175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -76.17 -26.22 56.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 1.0 112.123 -175.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.528 ' HB2' ' HG2' ' A' 1757 ' ' GLN . . . -143.96 27.72 1.45 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.827 0.346 . . . . 1.0 111.417 -174.568 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.155 -1.358 . . . . 1.0 111.449 178.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 112.127 -0.389 . . . . 1.0 112.127 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.45 HG13 ' HD3' ' A' 1652 ' ' PRO . 34.2 pt -119.66 -175.16 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 110.284 -0.265 . . . . 1.0 110.284 179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -119.51 82.24 24.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 120.723 0.296 . . . . 1.0 110.65 178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.45 ' HD3' HG13 ' A' 1650 ' ' ILE . 90.5 Cg_endo -93.09 170.17 2.25 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.151 2.567 . . . . 1.0 110.631 173.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.403 ' HB2' ' NE2' ' A' 1658 ' ' GLN . 19.5 m-85 54.75 38.22 29.75 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 108.53 -0.915 . . . . 1.0 108.53 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 47.3 p -39.57 107.7 0.07 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-N 114.418 -1.264 . . . . 1.0 114.167 -164.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -170.75 152.83 3.87 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 114.874 -1.057 . . . . 1.0 109.47 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.557 ' O ' ' HB1' ' A' 1724 ' ' ALA . 31.9 Cg_exo -60.43 140.43 91.54 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.243 1.962 . . . . 1.0 110.844 173.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 101.1 -25.29 28.84 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.315 -0.945 . . . . 1.0 111.538 -174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.403 ' NE2' ' HB2' ' A' 1653 ' ' PHE . 9.2 tp-100 -58.05 -55.34 36.24 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.013 0.435 . . . . 1.0 110.616 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 57.7 tp -63.23 -44.54 94.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.717 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -57.57 -29.42 64.42 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.49 -0.777 . . . . 1.0 111.344 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.595 ' HA ' HG11 ' A' 1731 ' ' VAL . 98.5 m -75.03 -40.48 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.706 0.288 . . . . 1.0 110.431 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.522 ' HB2' ' HE2' ' A' 1780 ' ' LYS . 37.0 tt0 -66.01 -46.21 78.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.938 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 8.9 t -65.24 -31.9 73.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.819 0.342 . . . . 1.0 110.576 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.3 -43.32 64.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.498 176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 18.6 mt -57.36 -40.15 72.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 1.0 111.043 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.6 99.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.794 0.33 . . . . 1.0 111.245 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.92 -39.69 55.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.36 0.6 . . . . 1.0 110.628 -177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.843 HD12 ' SG ' ' A' 1671 ' ' CYS . 52.0 tp -66.79 -32.37 73.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.351 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.1 t-20 -64.01 -40.14 95.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.668 0.747 . . . . 1.0 108.995 175.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 42.4 t -64.66 -41.47 96.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.877 -1.056 . . . . 1.0 111.47 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.843 ' SG ' HD12 ' A' 1668 ' ' LEU . 31.1 p -74.63 -28.71 60.99 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.393 -0.523 . . . . 1.0 110.115 -178.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.57 -47.36 81.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.78 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.564 ' O ' ' HG2' ' A' 1677 ' ' GLN . 6.3 mpt_? -63.28 -42.36 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.755 177.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 11.8 t70 -59.17 -46.35 88.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.706 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.757 ' HG ' HG23 ' A' 1742 ' ' THR . 38.7 mt -62.04 -39.82 93.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.987 -0.551 . . . . 1.0 111.312 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -61.26 -43.37 98.99 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.751 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . 0.831 HE21 ' HA ' ' A' 1677 ' ' GLN . 0.0 OUTLIER -70.85 -33.19 70.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.164 -0.471 . . . . 1.0 109.889 179.449 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.23 82.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.787 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.62 ' HA ' HD21 ' A' 1762 ' ' LEU . 27.3 t -53.95 -46.25 71.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.025 0.44 . . . . 1.0 110.654 175.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.83 -41.14 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.911 -0.586 . . . . 1.0 111.285 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.408 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -74.46 -29.41 61.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.983 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.35 64.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.741 0.305 . . . . 1.0 110.91 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -69.45 -15.97 20.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-O 121.32 0.581 . . . . 1.0 110.784 -179.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 14.1 p -105.58 -0.81 25.41 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.746 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 14.7 mm100 60.93 22.52 12.69 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.83 -0.623 . . . . 1.0 111.951 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -98.49 2.0 47.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.665 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' 1681 ' ' ALA . 30.1 tp -80.27 141.3 35.67 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.325 -175.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -97.97 158.9 32.06 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.579 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.46 160.83 10.54 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 123.056 2.504 . . . . 1.0 112.938 178.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.661 ' HD3' HD21 ' A' 1698 ' ' LEU . 0.0 OUTLIER -86.07 -160.1 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -175.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -43.59 -35.79 1.86 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.072 -0.967 . . . . 1.0 111.414 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.638 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 113.9 105.06 2.64 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.698 -0.763 . . . . 1.0 112.908 175.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.519 HG22 ' HE ' ' A' 1690 ' ' ARG . 9.8 tp -167.39 159.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.016 -0.364 . . . . 1.0 110.016 177.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 7.6 t -64.14 158.26 23.38 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.898 0.38 . . . . 1.0 111.245 -178.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 27.1 tp60 -61.56 -47.93 83.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.055 -0.52 . . . . 1.0 111.836 -176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.49 ' O ' ' HB3' ' A' 1699 ' ' HIS . 0.9 OUTLIER -70.1 -27.78 64.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.253 0.549 . . . . 1.0 109.723 -179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.463 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -71.18 -24.58 62.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.481 -0.781 . . . . 1.0 110.633 179.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.661 HD21 ' HD3' ' A' 1690 ' ' ARG . 32.9 mt -62.11 -41.45 98.23 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 110.011 -0.366 . . . . 1.0 110.011 172.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' 1696 ' ' GLU . 3.4 t-80 -54.26 -48.49 71.1 Favored 'General case' 0 C--O 1.224 -0.274 0 CA-C-N 115.95 -0.568 . . . . 1.0 109.505 172.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 19.2 m -61.27 -51.85 67.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.154 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -57.09 -51.55 68.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.967 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.545 ' O ' HG23 ' A' 1706 ' ' VAL . 55.2 mtp -74.28 -47.34 35.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.667 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.452 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.8 tm? -59.24 -45.48 91.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.428 0.156 . . . . 1.0 110.984 -176.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 22.1 m -61.58 -37.58 84.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.892 0.377 . . . . 1.0 110.928 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.593 ' O ' HG13 ' A' 1709 ' ' ILE . . . -70.62 -48.99 52.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.713 178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' 1702 ' ' MET . 90.7 t -56.68 -45.31 82.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.594 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -61.6 -47.77 83.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.482 0.182 . . . . 1.0 111.078 177.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -62.2 -27.35 68.92 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.516 -0.311 . . . . 1.0 111.208 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' 1713 ' ' ILE . 81.8 mt -66.44 -58.8 5.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-N 116.392 -0.367 . . . . 1.0 110.123 174.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.765 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.4 t -56.92 -37.91 72.13 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.369 0.604 . . . . 1.0 110.007 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -54.64 -37.84 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.863 -1.062 . . . . 1.0 110.834 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.765 HD11 ' HB2' ' A' 1734 ' ' MET . 1.8 pp -93.18 -16.69 24.57 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 111.89 0.33 . . . . 1.0 111.89 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.769 HG22 HG23 ' A' 1800 ' ' VAL . 82.9 mt -61.79 -48.17 89.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.679 0.276 . . . . 1.0 111.283 -175.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.45 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.3 mt-10 -59.5 -54.19 58.41 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.611 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' 1714 ' ' GLU . 17.9 Cg_endo -59.98 -32.77 95.48 Favored 'Trans proline' 0 C--N 1.352 0.743 0 C-N-CA 122.069 1.846 . . . . 1.0 112.619 176.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.808 HD13 ' HE3' ' A' 1734 ' ' MET . 7.8 tt -65.88 -48.23 72.2 Favored 'General case' 0 C--O 1.226 -0.167 0 N-CA-C 110.294 -0.261 . . . . 1.0 110.294 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -64.01 -44.87 91.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.307 0.575 . . . . 1.0 109.991 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -63.34 -33.76 76.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.134 -0.939 . . . . 1.0 111.492 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -77.66 -47.08 20.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.596 0.236 . . . . 1.0 111.035 178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.739 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.87 -40.26 60.31 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.859 -176.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.38 -12.05 60.69 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 -175.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -151.73 -64.66 0.18 Allowed 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 113.096 0.776 . . . . 1.0 113.096 -175.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -87.09 104.28 16.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.151 0.501 . . . . 1.0 111.796 -173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.689 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -80.11 -39.39 29.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.857 -0.61 . . . . 1.0 111.787 -175.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 5.2 m -55.81 -31.95 63.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.718 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -94.85 -32.59 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.075 -176.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.739 HD22 ' HA ' ' A' 1720 ' ' ALA . 12.9 tp -55.57 -44.56 76.98 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.162 -0.926 . . . . 1.0 111.765 179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.53 -32.14 38.01 Favored Glycine 0 CA--C 1.521 0.43 0 CA-C-N 115.876 -0.602 . . . . 1.0 112.861 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 24.7 m170 -75.93 -35.93 59.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.972 0.415 . . . . 1.0 110.245 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.45 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 53.9 mmtt -65.23 -50.13 67.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.016 -177.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.595 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.7 t -58.14 -45.46 88.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.499 -0.773 . . . . 1.0 111.169 -177.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 45.7 m -57.65 -36.28 71.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.732 -0.667 . . . . 1.0 111.017 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -74.82 -45.01 46.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.462 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.808 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -61.78 -48.63 79.77 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.712 0.291 . . . . 1.0 111.323 -175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -64.88 -33.59 76.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.54 0.686 . . . . 1.0 110.142 -177.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.19 -36.8 75.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.723 -1.126 . . . . 1.0 111.734 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.43 -26.82 46.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 111.397 -176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.493 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.2 m-85 -73.4 -23.13 60.12 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.497 0.554 . . . . 1.0 112.497 -174.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.444 ' O ' HD13 ' A' 1743 ' ' LEU . 31.0 tt0 -65.78 -59.52 8.98 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 119.585 -0.846 . . . . 1.0 110.461 176.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -57.68 -39.6 86.5 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.484 1.456 . . . . 1.0 111.838 177.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 17.0 mt -57.8 -47.37 82.78 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.624 0.25 . . . . 1.0 111.124 178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.757 HG23 ' HG ' ' A' 1675 ' ' LEU . 23.0 m -56.48 -57.14 13.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.403 176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.444 HD13 ' O ' ' A' 1739 ' ' GLU . 9.0 mp -64.89 -29.49 70.44 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.655 0.264 . . . . 1.0 111.084 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.474 ' HA ' ' HD2' ' A' 1690 ' ' ARG . . . -70.44 -43.26 70.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.648 0.261 . . . . 1.0 110.306 177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.07 -41.74 77.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.086 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' 1742 ' ' THR . 61.3 t -59.45 -34.2 53.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 121.353 0.597 . . . . 1.0 109.554 175.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.59 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -66.46 -50.72 47.79 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 115.473 -0.785 . . . . 1.0 112.176 175.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.647 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.58 -27.99 66.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.793 0.33 . . . . 1.0 110.914 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.608 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -62.46 -54.1 45.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.115 0.483 . . . . 1.0 111.47 175.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.8 p -81.83 -22.65 36.9 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.147 0.499 . . . . 1.0 111.594 -175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 56.7 tttp -90.25 -46.77 8.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.784 -0.643 . . . . 1.0 112.029 -174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.47 ' HB ' ' HB2' ' A' 1758 ' ' GLN . 97.4 m -72.9 125.68 28.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.231 0.539 . . . . 1.0 111.087 -175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 87.1 mt -84.8 -28.55 26.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.971 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 20.0 m -70.45 87.74 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.792 -0.64 . . . . 1.0 109.488 174.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.485 ' HA ' ' HB3' ' A' 1758 ' ' GLN . 93.8 m-70 -57.2 -45.3 99.93 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.371 -0.832 . . . . 1.0 112.76 -171.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_exo -50.77 -38.59 57.05 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.187 1.925 . . . . 1.0 113.268 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.497 ' HG3' ' HB1' ' A' 1820 ' ' ALA . 30.0 mm-40 -83.04 -42.62 17.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 1.0 110.328 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.608 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.2 tt0 -54.36 -57.69 10.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.212 -0.903 . . . . 1.0 111.293 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 16.3 mmt -64.63 -36.31 83.82 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.518 -0.765 . . . . 1.0 111.29 -176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.68 -54.49 41.93 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.946 -176.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.647 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -73.17 -28.72 62.37 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 119.973 -0.691 . . . . 1.0 110.481 -175.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' 1679 ' ' SER . 60.5 tp -61.03 -54.73 41.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.152 0.501 . . . . 1.0 110.265 175.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 29.1 t70 -70.08 -37.85 75.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.074 -178.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.538 HE21 ' HA ' ' A' 1810 ' ' LEU . 25.1 mt-30 -66.33 -33.17 75.12 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.767 -0.197 . . . . 1.0 111.449 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 85.7 m -64.99 -42.75 94.25 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 109.535 -0.542 . . . . 1.0 109.535 174.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.451 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 75.3 tttt -64.5 -40.71 96.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.738 -0.665 . . . . 1.0 110.394 176.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 24.4 m -61.73 -41.21 97.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.185 176.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.406 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 55.1 tp -65.98 -35.38 80.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.216 175.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.3 -40.23 95.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.429 -0.351 . . . . 1.0 110.76 176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -65.04 -37.62 88.18 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 121.08 0.467 . . . . 1.0 110.164 175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 18.4 m -66.48 -39.94 89.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.698 -0.683 . . . . 1.0 109.861 177.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.9 -37.16 78.8 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.92 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.417 ' HG ' ' CD2' ' A' 1777 ' ' TYR . 17.0 tp -63.66 -44.46 93.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.484 -0.561 . . . . 1.0 109.484 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' 1799 ' ' ALA . 30.0 tt0 -64.03 -37.27 86.83 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 174.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.566 HD11 HD22 ' A' 1716 ' ' LEU . 1.1 tm? -58.62 -54.85 42.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.855 -0.611 . . . . 1.0 109.59 176.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.566 HD22 HG13 ' A' 1731 ' ' VAL . 62.8 mt -66.93 -34.05 76.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.527 -0.306 . . . . 1.0 111.152 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.417 ' CD2' ' HG ' ' A' 1773 ' ' LEU . 2.3 m-85 -64.92 -44.61 88.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.597 0.237 . . . . 1.0 111.59 179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 29.3 p -74.92 -40.83 60.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.907 0.384 . . . . 1.0 110.6 -179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.46 -24.34 67.59 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.909 176.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.522 ' HE2' ' HB2' ' A' 1662 ' ' GLU . 51.2 tttm -70.23 -52.52 22.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.904 178.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.98 -37.36 81.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.88 0.372 . . . . 1.0 111.364 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.598 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.68 -16.44 48.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.738 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.44 95.18 0.01 OUTLIER Glycine 0 C--N 1.335 0.52 0 O-C-N 124.119 0.887 . . . . 1.0 115.089 -167.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.689 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.6 17.61 62.61 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.502 -0.349 . . . . 1.0 112.31 176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 12.3 t30 -132.7 84.95 48.73 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.214 0.531 . . . . 1.0 110.009 -175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -71.51 -6.04 18.32 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.158 2.572 . . . . 1.0 112.588 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -71.78 -30.74 65.88 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.142 0.496 . . . . 1.0 109.745 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -95.29 96.49 9.2 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.377 -0.971 . . . . 1.0 108.377 171.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.563 ' HA ' ' HG2' ' A' 1793 ' ' GLN . . . -134.37 -153.68 0.54 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.484 -0.78 . . . . 1.0 111.348 -171.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 64.88 -94.77 0.04 OUTLIER 'General case' 0 C--O 1.231 0.092 0 C-N-CA 123.324 0.65 . . . . 1.0 111.203 -178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.25 -36.14 76.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.747 0.308 . . . . 1.0 110.489 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.598 HG22 ' HB2' ' A' 1782 ' ' ALA . 27.5 m -68.98 -36.17 77.55 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.216 0.532 . . . . 1.0 110.165 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' 1789 ' ' ALA . 86.4 mm-40 -69.15 -45.23 70.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.703 -179.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 1798 ' ' GLU . 42.5 mt-10 -62.43 -50.28 72.11 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 177.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -68.38 -28.86 67.48 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 111.963 0.357 . . . . 1.0 111.963 -175.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.9 OUTLIER -59.49 -37.01 77.15 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.571 -0.9 . . . . 1.0 108.571 173.61 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.567 ' HA ' HG12 ' A' 1800 ' ' VAL . 46.5 mt-10 -79.54 -38.78 33.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.694 -0.684 . . . . 1.0 110.283 -178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' 1794 ' ' GLU . 20.4 mm-40 -60.06 -32.01 70.52 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.112 -0.495 . . . . 1.0 109.68 175.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . 0.543 ' HA ' HE21 ' A' 1774 ' ' GLN . . . -70.39 -50.56 37.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.913 -0.585 . . . . 1.0 111.554 178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.769 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -60.95 -36.2 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 120.723 0.297 . . . . 1.0 110.67 -179.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -67.95 -50.15 57.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.535 176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 25.0 ttt -57.1 -42.91 81.66 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.831 -0.622 . . . . 1.0 111.306 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.595 ' O ' HG23 ' A' 1807 ' ' VAL . 3.1 ttt -64.68 -53.28 49.83 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.188 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 81.4 m -51.59 -47.77 63.43 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.633 -0.712 . . . . 1.0 112.456 -175.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.29 -27.04 65.06 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.863 0.363 . . . . 1.0 110.955 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -77.98 -34.7 50.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.38 0.61 . . . . 1.0 110.073 175.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' 1710 ' ' SER . 50.5 t -57.5 -55.23 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.028 -0.987 . . . . 1.0 110.678 177.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.54 -26.41 67.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.649 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.47 -51.99 37.4 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.861 -0.609 . . . . 1.0 110.814 -179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.538 ' HA ' HE21 ' A' 1764 ' ' GLN . 23.8 tp -63.45 -43.51 97.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.432 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 3.0 m -52.75 -39.49 62.24 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.619 -0.719 . . . . 1.0 112.15 -179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1816 ' ' GLU . 29.9 m -59.6 -53.42 58.22 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.426 0.155 . . . . 1.0 110.739 176.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 4.9 m -61.39 -35.15 76.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.408 . . . . 1.0 110.773 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1810 ' ' LEU . 93.6 mt -68.44 -43.27 77.48 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.324 178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.452 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -67.26 -34.85 78.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.382 178.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' 1812 ' ' THR . 22.6 mm-40 -67.5 -45.78 74.81 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 116.066 -0.516 . . . . 1.0 109.948 175.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.1 -22.83 6.73 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -175.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.81 -43.32 76.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.091 0.472 . . . . 1.0 110.7 177.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 12.9 m -105.65 -40.17 5.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.584 175.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.497 ' HB1' ' HG3' ' A' 1757 ' ' GLN . . . -66.76 -17.42 64.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.526 -0.761 . . . . 1.0 112.489 -172.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -113.16 10.19 18.6 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.06 0.457 . . . . 1.0 110.739 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.84 0 CA-C-O 118.862 -0.965 . . . . 1.0 111.562 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 112.29 -0.324 . . . . 1.0 112.29 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.0 tp -107.94 133.47 52.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.647 -0.501 . . . . 1.0 109.647 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 18.3 t0 -126.02 100.32 30.49 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-O 120.918 0.39 . . . . 1.0 109.977 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.592 ' HB2' ' HB3' ' A' 1788 ' ' GLN . 73.3 Cg_endo -93.35 111.86 0.22 Allowed 'Trans proline' 0 N--CA 1.452 -0.943 0 C-N-CA 123.273 2.649 . . . . 1.0 112.957 -176.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.532 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 26.0 p90 -156.39 138.97 14.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.403 -0.362 . . . . 1.0 110.688 178.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 13.2 t -175.02 29.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.128 0.49 . . . . 1.0 111.489 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' A' 1658 ' ' GLN . . . -133.4 162.24 58.89 Favored Pre-proline 0 C--N 1.327 -0.378 0 O-C-N 122.049 -0.407 . . . . 1.0 111.206 -175.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.425 ' O ' ' HB1' ' A' 1724 ' ' ALA . 17.1 Cg_exo -68.05 144.95 65.71 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.763 2.308 . . . . 1.0 111.384 174.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 82.58 -37.47 2.62 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 120.673 -0.775 . . . . 1.0 111.244 -177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.532 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 5.6 tt0 -55.59 -31.61 62.36 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 123.759 0.824 . . . . 1.0 110.368 174.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 34.8 tp -72.38 -44.06 63.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.549 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -58.41 -33.15 69.34 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.911 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.666 ' HA ' HG11 ' A' 1731 ' ' VAL . 74.2 m -66.32 -42.34 88.35 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.565 -0.743 . . . . 1.0 110.763 178.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.66 -42.23 78.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.067 0.46 . . . . 1.0 110.523 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.3 p -66.89 -41.36 87.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.224 -177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . 0.474 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -66.39 -36.72 83.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.468 179.19 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 58.9 mt -55.94 -40.41 62.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.182 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.871 177.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.88 96.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.83 0.348 . . . . 1.0 111.242 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.53 -38.86 59.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.466 0.65 . . . . 1.0 110.591 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.2 tp -66.71 -35.67 80.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.182 -0.917 . . . . 1.0 110.359 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -40.0 94.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.684 . . . . 1.0 109.312 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.1 t -60.5 -38.42 84.3 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.272 -0.876 . . . . 1.0 110.851 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.625 ' HB3' ' OG1' ' A' 1742 ' ' THR . 58.4 m -72.49 -42.35 64.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.982 0.42 . . . . 1.0 109.931 178.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.458 HD12 ' HG3' ' A' 1766 ' ' LYS . 57.1 tp -59.07 -39.61 82.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.697 . . . . 1.0 110.378 175.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 49.4 ttp85 -58.31 -51.72 68.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.351 -0.84 . . . . 1.0 111.516 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.05 -32.67 69.44 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.355 -0.239 . . . . 1.0 110.355 -178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.745 ' HG ' HG23 ' A' 1742 ' ' THR . 23.4 mt -61.39 -41.56 97.32 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.089 0.471 . . . . 1.0 110.426 174.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.21 -42.66 91.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.485 -0.78 . . . . 1.0 110.196 174.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -71.87 -33.15 68.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.045 -0.979 . . . . 1.0 110.697 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' 1746 ' ' VAL . . . -61.71 -54.38 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.782 -0.644 . . . . 1.0 110.936 177.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 47.8 t -55.99 -44.31 78.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 1.0 110.84 178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 4.8 tt -63.43 -44.74 93.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 -178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.709 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -68.94 -35.05 76.33 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.527 -0.306 . . . . 1.0 110.807 177.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.54 -45.75 74.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.618 -0.264 . . . . 1.0 111.279 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.5 p -67.77 -22.58 28.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.153 0.501 . . . . 1.0 110.205 178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 21.9 m -95.75 5.35 51.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.756 177.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 58.26 32.16 21.71 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.821 -0.627 . . . . 1.0 112.154 175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -122.43 14.72 10.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.232 -178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.709 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.9 tm? -70.9 131.44 43.75 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.392 -175.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' 1687 ' ' LEU . . . -82.95 146.99 53.33 Favored Pre-proline 0 CA--C 1.532 0.269 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.727 -177.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.474 ' HA ' ' OG ' ' A' 1750 ' ' SER . 87.3 Cg_exo -48.67 158.5 1.13 Allowed 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 123.845 3.03 . . . . 1.0 114.44 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.0 OUTLIER -51.56 162.91 0.33 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.986 179.323 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.64 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 10.7 mm-40 -58.41 -44.96 89.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.445 177.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 161.99 69.88 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 110.798 -0.921 . . . . 1.0 110.798 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.517 HD13 HD23 ' A' 1698 ' ' LEU . 20.9 tt -156.95 143.86 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.727 0.299 . . . . 1.0 110.702 -170.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 15.3 m -84.81 168.25 15.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.995 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -63.88 -47.42 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.202 -177.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -64.19 -33.16 75.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.274 0.559 . . . . 1.0 110.227 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.64 -32.61 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.604 -0.725 . . . . 1.0 110.409 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.517 HD23 HD13 ' A' 1693 ' ' ILE . 66.9 mt -62.12 -41.35 98.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.615 176.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.484 ' HD2' ' O ' ' A' 1814 ' ' LEU . 44.8 t-80 -57.29 -43.51 83.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.108 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 42.7 m -69.8 -49.25 54.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.398 -0.365 . . . . 1.0 110.957 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.42 -56.3 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.639 -0.709 . . . . 1.0 111.25 -177.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.607 ' O ' HG23 ' A' 1706 ' ' VAL . 58.6 mmm -65.78 -58.33 5.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.196 -0.911 . . . . 1.0 111.149 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.577 HD23 HG23 ' A' 1811 ' ' THR . 1.5 tm? -56.0 -51.18 68.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.687 -0.688 . . . . 1.0 111.487 -174.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.523 ' HA ' ' OE1' ' A' 1707 ' ' GLN . 27.2 m -64.19 -36.22 83.34 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 121.094 -0.242 . . . . 1.0 111.49 -176.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.556 ' O ' HG13 ' A' 1709 ' ' ILE . . . -63.5 -46.11 87.58 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.797 0.332 . . . . 1.0 110.169 176.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.804 HG12 HG13 ' A' 1807 ' ' VAL . 59.9 t -58.76 -40.64 80.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 115.765 -0.652 . . . . 1.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.523 ' OE1' ' HA ' ' A' 1704 ' ' THR . 90.8 mt-30 -54.4 -58.67 6.54 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.146 0.498 . . . . 1.0 110.552 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -58.46 -34.91 71.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.178 -0.919 . . . . 1.0 111.429 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.707 ' O ' HG13 ' A' 1713 ' ' ILE . 83.9 mt -64.0 -59.34 4.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.306 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.623 ' HA ' HD12 ' A' 1713 ' ' ILE . 7.9 t -58.75 -34.69 71.68 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.131 0.491 . . . . 1.0 110.478 -176.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -61.25 -33.52 73.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.335 -0.848 . . . . 1.0 110.728 177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.805 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.18 -20.0 20.9 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.736 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.898 HG22 HG23 ' A' 1800 ' ' VAL . 59.4 mt -61.25 -47.09 95.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-O 120.692 0.282 . . . . 1.0 110.669 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.408 ' N ' ' HD2' ' A' 1715 ' ' PRO . 43.2 mt-10 -57.33 -55.79 40.67 Favored Pre-proline 0 CA--C 1.537 0.469 0 CA-C-N 116.092 -0.504 . . . . 1.0 111.607 -178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.423 ' HG2' ' O ' ' A' 1712 ' ' LEU . 20.0 Cg_endo -61.34 -35.57 83.3 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 122.164 1.909 . . . . 1.0 112.848 176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.97 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -62.27 -48.27 80.66 Favored 'General case' 0 C--N 1.333 -0.148 0 N-CA-C 110.189 -0.301 . . . . 1.0 110.189 -179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.6 83.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.334 . . . . 1.0 111.199 -179.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 5.7 t -75.68 -30.4 59.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.66 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.6 -55.12 5.97 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.395 176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.667 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -51.59 -37.98 52.36 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.769 0.655 . . . . 1.0 112.769 -173.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.56 -12.54 61.11 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -172.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.81 -44.79 0.15 Allowed 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -177.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.12 162.19 15.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.178 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.513 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -130.12 -40.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 111.845 0.313 . . . . 1.0 111.845 -177.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 32.7 t -67.86 -38.47 83.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 1.0 111.313 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.1 mt-30 -79.58 -35.92 38.97 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 108.826 -0.805 . . . . 1.0 108.826 -179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' 1720 ' ' ALA . 10.2 tp -56.13 -50.42 71.17 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 113.971 -1.468 . . . . 1.0 112.168 -177.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.69 -35.7 38.75 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 120.928 -0.653 . . . . 1.0 112.654 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.474 ' O ' ' HG3' ' A' 1733 ' ' GLN . 62.4 t60 -74.69 -30.69 61.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.519 0.199 . . . . 1.0 110.853 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' 1726 ' ' GLN . 58.6 mmtt -67.87 -47.32 69.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.25 0.548 . . . . 1.0 109.984 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.691 HG13 HD22 ' A' 1776 ' ' LEU . 33.4 t -59.96 -42.48 89.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.211 -0.904 . . . . 1.0 111.286 -174.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 36.5 t -56.62 -38.18 71.72 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.865 -0.607 . . . . 1.0 111.05 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' 1729 ' ' HIS . 61.6 mt-30 -71.03 -50.74 30.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.078 -177.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.97 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.3 ttm -58.2 -43.3 87.55 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.205 -0.452 . . . . 1.0 111.451 -173.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . 0.474 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.14 -33.08 72.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.49 0.662 . . . . 1.0 109.89 -176.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.484 ' O ' ' HD2' ' A' 1740 ' ' PRO . 5.8 tt0 -62.66 -45.05 94.61 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.701 -1.136 . . . . 1.0 111.844 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -68.99 -26.89 65.25 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.852 0.358 . . . . 1.0 111.59 -175.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.612 ' CE2' HD13 ' A' 1709 ' ' ILE . 16.4 m-85 -72.92 -22.45 60.73 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.278 -0.419 . . . . 1.0 111.761 -178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.433 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 34.6 tt0 -62.83 -58.4 16.84 Favored Pre-proline 0 CA--C 1.54 0.563 0 C-N-CA 120.638 -0.425 . . . . 1.0 110.791 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.484 ' HD2' ' O ' ' A' 1736 ' ' GLN . 11.3 Cg_endo -60.24 -37.38 83.37 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.669 1.579 . . . . 1.0 112.168 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' 1741 ' ' LEU . 12.7 mt -57.43 -47.56 81.45 Favored 'General case' 0 CA--C 1.514 -0.407 0 C-N-CA 120.977 -0.289 . . . . 1.0 110.816 178.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.745 HG23 ' HG ' ' A' 1675 ' ' LEU . 54.3 m -56.43 -54.95 39.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.391 174.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.64 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 85.4 mt -60.67 -37.72 82.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-O 120.737 0.304 . . . . 1.0 111.332 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -72.36 -42.51 65.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.862 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.87 -46.37 78.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 1.0 110.874 178.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' 1742 ' ' THR . 43.7 t -61.31 -36.93 76.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.112 -0.699 . . . . 1.0 109.112 175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.496 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -60.05 -49.35 79.57 Favored Glycine 0 N--CA 1.444 -0.832 0 CA-C-N 115.599 -0.728 . . . . 1.0 111.753 174.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.674 ' HA ' ' HB3' ' A' 1751 ' ' LYS . . . -61.69 -26.1 67.82 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 122.673 0.389 . . . . 1.0 111.964 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.587 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -59.19 -46.98 86.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.192 0.52 . . . . 1.0 110.533 174.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.474 ' OG ' ' HA ' ' A' 1689 ' ' PRO . 36.6 t -82.29 -33.43 29.08 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.419 0.628 . . . . 1.0 110.764 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.674 ' HB3' ' HA ' ' A' 1748 ' ' ALA . 48.6 tptt -72.35 -44.32 62.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.23 -0.896 . . . . 1.0 111.783 -172.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 75.2 m -86.27 136.35 33.2 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.833 -176.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 44.8 tp -97.06 -30.72 12.88 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . 0.439 ' HB3' ' OE1' ' A' 1757 ' ' GLN . 51.8 m -66.48 104.88 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.699 -0.682 . . . . 1.0 110.054 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.412 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 39.6 m80 -61.47 -45.23 94.2 Favored Pre-proline 0 CA--C 1.541 0.596 0 N-CA-C 113.278 0.844 . . . . 1.0 113.278 -171.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.412 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 44.1 Cg_exo -59.23 -13.69 20.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 122.615 2.21 . . . . 1.0 113.74 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.439 ' OE1' ' HB3' ' A' 1754 ' ' SER . 27.2 mp0 -106.01 -53.59 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 175.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -43.78 -58.26 2.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.067 0.947 . . . . 1.0 112.353 177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 65.9 mtp -79.77 -29.28 40.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.055 -0.521 . . . . 1.0 111.032 -173.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -69.77 -53.15 19.66 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.868 -177.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.556 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -68.08 -30.43 69.61 Favored 'General case' 0 C--O 1.224 -0.271 0 C-N-CA 120.39 -0.524 . . . . 1.0 109.975 -177.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.587 HD22 ' HB2' ' A' 1749 ' ' ALA . 51.3 tp -60.83 -57.18 13.74 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.334 175.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.1 t70 -64.35 -37.63 88.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.675 -0.693 . . . . 1.0 111.42 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -71.36 -30.88 66.69 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.812 0.301 . . . . 1.0 111.812 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.4 m -65.35 -41.77 93.51 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.163 -0.68 . . . . 1.0 109.163 172.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.694 ' HA ' HD13 ' A' 1675 ' ' LEU . 51.6 tttm -63.32 -42.72 99.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.202 -0.908 . . . . 1.0 110.318 175.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 68.6 m -60.02 -45.39 92.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.646 175.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.573 HD13 ' HB3' ' A' 1806 ' ' ALA . 42.9 tp -64.52 -34.57 78.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.223 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.09 -41.42 90.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.433 -0.349 . . . . 1.0 110.702 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -65.16 -39.42 92.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.348 . . . . 1.0 110.396 175.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.56 -44.98 89.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.019 176.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -62.77 -37.2 85.7 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.692 176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 15.2 tp -63.46 -46.54 85.75 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 109.302 -0.629 . . . . 1.0 109.302 178.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . 0.864 ' HA ' HE21 ' A' 1774 ' ' GLN . 0.0 OUTLIER -60.41 -40.81 92.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.089 175.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.673 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -61.31 -54.33 45.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.983 177.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.691 HD22 HG13 ' A' 1731 ' ' VAL . 59.1 mt -62.24 -29.41 70.38 Favored 'General case' 0 C--O 1.227 -0.103 0 CA-C-O 120.56 0.219 . . . . 1.0 111.13 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -65.87 -53.73 35.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.642 -0.254 . . . . 1.0 110.793 174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 22.7 p -64.49 -29.53 70.57 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.152 0.501 . . . . 1.0 110.818 178.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.62 -23.23 60.9 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.38 175.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.583 ' HE2' ' OE1' ' A' 1781 ' ' GLU . 25.2 ttpt -75.32 -58.42 3.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.048 179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.583 ' OE1' ' HE2' ' A' 1780 ' ' LYS . 1.4 mp0 -54.44 -48.85 71.22 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.0 0.428 . . . . 1.0 111.489 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -83.05 -16.69 45.99 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -175.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.39 96.07 0.01 OUTLIER Glycine 0 C--N 1.331 0.268 0 O-C-N 123.993 0.808 . . . . 1.0 114.977 -169.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.513 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.1 16.15 66.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.345 -0.455 . . . . 1.0 112.059 178.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.569 ' ND2' ' HB2' ' A' 1788 ' ' GLN . 40.6 t30 -146.89 81.12 9.23 Favored Pre-proline 0 C--N 1.321 -0.663 0 CA-C-O 121.07 0.462 . . . . 1.0 110.743 -175.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -70.03 -9.89 27.08 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.871 2.38 . . . . 1.0 112.42 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -69.22 -52.5 27.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.832 0.349 . . . . 1.0 110.949 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.592 ' HB3' ' HB2' ' A' 1652 ' ' PRO . 2.3 mp0 -88.91 18.03 5.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.017 -179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.715 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -147.62 90.96 1.9 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.991 0.424 . . . . 1.0 111.537 -178.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -104.81 -53.35 2.7 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.826 -0.624 . . . . 1.0 110.261 177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -77.56 -12.94 60.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.546 -0.538 . . . . 1.0 109.546 178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.715 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 31.9 m -69.32 -29.33 67.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.995 174.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -60.47 -36.44 78.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.847 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -61.3 -51.65 67.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.3 -0.864 . . . . 1.0 110.565 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.827 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -75.91 -27.53 57.68 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.087 -172.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.5 -33.71 73.0 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.769 -0.456 . . . . 1.0 109.769 176.327 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' 1801 ' ' GLN . 39.4 mt-10 -80.95 -30.09 35.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.096 -0.502 . . . . 1.0 111.643 -178.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.827 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 11.5 pt-20 -78.42 -34.19 48.11 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.131 -0.628 . . . . 1.0 110.145 178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.58 91.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.898 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -63.41 -35.38 72.13 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.995 0.426 . . . . 1.0 110.486 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.491 ' HA ' HG22 ' A' 1804 ' ' THR . 88.2 mt-30 -77.18 -34.32 56.32 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.062 0.458 . . . . 1.0 110.153 177.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 23.3 ttt -63.18 -42.03 99.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.182 177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.672 ' HB3' HD13 ' A' 1713 ' ' ILE . 57.3 mtp -64.55 -53.3 50.0 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.874 177.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.491 HG22 ' HA ' ' A' 1801 ' ' GLN . 6.8 t -59.57 -28.52 67.2 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.721 0.296 . . . . 1.0 110.644 -177.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 26.6 tp10 -64.16 -56.04 17.56 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.26 174.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.573 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -65.91 -27.04 67.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.779 179.334 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.804 HG13 HG12 ' A' 1706 ' ' VAL . 24.3 t -57.9 -55.79 19.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.856 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -72.32 -26.71 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.431 . . . . 1.0 110.109 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 32.3 t0 -65.1 -56.45 12.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.717 -0.674 . . . . 1.0 110.336 177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.495 HD23 HG21 ' A' 1706 ' ' VAL . 21.2 tp -61.79 -44.54 96.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.253 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.577 HG23 HD23 ' A' 1703 ' ' LEU . 26.3 m -54.82 -40.15 69.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.771 -0.649 . . . . 1.0 111.447 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.512 ' O ' ' HG3' ' A' 1816 ' ' GLU . 94.3 m -59.98 -53.25 60.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.827 -0.17 . . . . 1.0 110.745 177.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 12.2 m -58.18 -39.5 79.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.141 0.496 . . . . 1.0 110.748 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.484 ' O ' ' HD2' ' A' 1699 ' ' HIS . 95.6 mt -66.04 -45.64 80.69 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.762 -0.654 . . . . 1.0 111.315 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.97 -29.55 65.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.002 -0.545 . . . . 1.0 111.635 -177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' 1812 ' ' THR . 49.4 mt-10 -72.73 -40.42 66.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 N-CA-C 108.441 -0.948 . . . . 1.0 108.441 175.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.609 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.96 -19.14 28.21 Favored 'General case' 0 N--CA 1.461 0.086 0 CA-C-N 115.448 -0.796 . . . . 1.0 112.051 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.59 -37.67 70.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.997 0.427 . . . . 1.0 110.288 175.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 8.1 m -105.97 -36.91 6.82 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.272 173.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.2 -35.44 78.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.204 -0.907 . . . . 1.0 112.458 -173.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -96.73 -55.74 2.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.593 0.235 . . . . 1.0 111.124 -177.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.517 -1.157 . . . . 1.0 111.989 -179.291 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.755 0 N-CA-C 111.896 -0.482 . . . . 1.0 111.896 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.1 tt -135.89 135.49 50.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 110.018 -0.364 . . . . 1.0 110.018 176.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.51 ' HB2' ' CE2' ' A' 1653 ' ' PHE . 7.8 p-10 -127.58 107.77 20.85 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.471 0.653 . . . . 1.0 110.065 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.529 ' HG2' ' HG3' ' A' 1781 ' ' GLU . 90.1 Cg_endo -83.88 -11.34 8.99 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.779 2.319 . . . . 1.0 112.46 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.516 ' HB3' ' O ' ' A' 1780 ' ' LYS . 0.4 OUTLIER -77.99 -71.1 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.714 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.477 HG22 ' O ' ' A' 1654 ' ' THR . 41.1 m 63.92 46.36 3.9 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.787 0.803 . . . . 1.0 111.13 170.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 1783 ' ' GLY . . . -158.38 160.73 29.46 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 121.711 -0.618 . . . . 1.0 111.779 -176.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -61.6 165.94 12.61 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.148 2.566 . . . . 1.0 112.137 173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.72 -19.23 21.47 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.112 -0.566 . . . . 1.0 111.782 -176.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -65.13 -25.58 67.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.517 0.562 . . . . 1.0 112.517 -174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.79 -49.31 47.95 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.952 0.406 . . . . 1.0 110.022 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -59.51 -34.02 72.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.373 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.742 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.0 m -69.71 -51.13 37.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.703 -0.681 . . . . 1.0 111.246 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.98 -34.87 78.69 Favored 'General case' 0 C--O 1.234 0.275 0 N-CA-C 111.542 0.201 . . . . 1.0 111.542 -175.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.7 t -74.02 -31.02 62.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.745 0.307 . . . . 1.0 110.593 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.72 -35.7 67.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.785 0.326 . . . . 1.0 110.426 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 32.5 mt -57.83 -41.13 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.764 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -68.19 -32.64 73.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 1.0 110.99 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.68 -41.04 63.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.337 0.589 . . . . 1.0 110.032 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.82 -33.49 73.93 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.062 177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -62.85 -40.04 96.22 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.59 0.709 . . . . 1.0 109.313 175.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 46.1 t -63.61 -40.07 95.98 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.092 -0.958 . . . . 1.0 110.384 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.55 ' HB3' ' OG1' ' A' 1742 ' ' THR . 64.6 m -67.9 -42.07 81.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.157 0.503 . . . . 1.0 110.157 179.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.69 -47.87 81.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.542 -0.754 . . . . 1.0 110.826 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -62.41 -46.88 86.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.795 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.81 -45.14 93.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.986 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.807 ' HG ' HG23 ' A' 1742 ' ' THR . 41.9 mt -60.56 -42.66 97.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.02 -0.537 . . . . 1.0 111.726 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -66.67 -40.19 88.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.033 0.444 . . . . 1.0 110.47 -177.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -75.69 -25.74 56.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.552 179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.536 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -63.64 -48.34 77.66 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 171.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 41.9 t -54.76 -43.97 73.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.778 -0.646 . . . . 1.0 110.154 174.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' 1683 ' ' VAL . 52.0 tp -63.42 -44.37 94.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.564 -0.744 . . . . 1.0 111.151 178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.672 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -69.53 -35.28 75.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.121 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.27 -41.94 80.3 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.599 -0.273 . . . . 1.0 111.051 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' 1680 ' ' LEU . 8.8 p -72.18 -19.17 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.239 0.542 . . . . 1.0 110.329 179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.7 t -100.3 2.2 42.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.522 179.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 61.53 31.46 18.9 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.127 -0.488 . . . . 1.0 111.855 177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -113.92 2.93 15.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.869 0.366 . . . . 1.0 110.69 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.672 HD23 ' HB3' ' A' 1681 ' ' ALA . 0.6 OUTLIER -67.76 123.86 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.296 -176.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.96 159.11 84.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 1.0 111.096 -178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.37 152.61 31.55 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.582 2.188 . . . . 1.0 112.585 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.585 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.0 OUTLIER -56.04 168.39 0.49 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.637 -0.71 . . . . 1.0 112.848 -176.411 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.539 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 2.0 mp0 -69.97 55.48 0.14 Allowed 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.21 -0.905 . . . . 1.0 112.242 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 52.43 53.1 33.44 Favored Glycine 0 C--N 1.333 0.362 0 CA-C-N 116.44 -0.346 . . . . 1.0 113.001 177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.44 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.6 tp -143.85 153.26 15.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.611 0.243 . . . . 1.0 110.484 -175.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.411 ' O ' ' HG ' ' A' 1698 ' ' LEU . 7.5 p -85.08 165.91 17.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.663 -0.244 . . . . 1.0 110.803 179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.531 ' HA ' HD12 ' A' 1698 ' ' LEU . 5.5 tm0? -72.1 -42.34 66.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 1.0 110.307 -175.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' 1696 ' ' GLU . 2.0 mp0 -56.44 -37.66 70.55 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.433 0.635 . . . . 1.0 109.43 175.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.44 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -76.13 -25.49 55.41 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 115.489 -0.778 . . . . 1.0 110.913 178.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' 1695 ' ' GLN . 79.4 mt -64.78 -52.66 55.7 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.56 -0.533 . . . . 1.0 109.56 172.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -52.82 -45.43 67.29 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-N 115.615 -0.721 . . . . 1.0 110.199 173.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 80.5 m -66.06 -50.56 63.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.558 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.92 -56.22 21.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.532 -0.304 . . . . 1.0 111.565 -176.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.436 ' CE ' HD21 ' A' 1814 ' ' LEU . 75.2 mtp -62.77 -41.23 99.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.144 -175.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.752 ' HG ' HD21 ' A' 1815 ' ' ASN . 2.7 tm? -69.72 -46.32 66.22 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.507 -0.315 . . . . 1.0 110.644 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.478 ' O ' ' HG2' ' A' 1708 ' ' GLU . 56.9 m -59.83 -47.75 84.47 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.614 -0.434 . . . . 1.0 110.148 178.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.558 ' O ' HG13 ' A' 1709 ' ' ILE . . . -59.9 -52.21 66.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.966 178.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.743 HG22 HG13 ' A' 1807 ' ' VAL . 4.7 p -58.76 -40.4 79.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.176 -0.466 . . . . 1.0 111.544 -174.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.432 ' HG3' ' O ' ' A' 1703 ' ' LEU . 25.9 mt-30 -65.6 -51.8 56.91 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.55 -0.295 . . . . 1.0 111.127 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' 1704 ' ' THR . 50.6 mm-40 -54.47 -38.67 66.67 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.007 0.432 . . . . 1.0 110.391 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.725 ' O ' HG13 ' A' 1713 ' ' ILE . 99.0 mt -58.81 -58.04 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 CA-C-N 115.463 -0.79 . . . . 1.0 110.742 175.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.671 ' HA ' HD12 ' A' 1713 ' ' ILE . 8.4 t -54.76 -43.37 72.7 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-O 120.79 0.329 . . . . 1.0 110.72 -176.28 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -58.96 -31.96 69.19 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.871 -0.604 . . . . 1.0 111.265 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' 1734 ' ' MET . 0.8 OUTLIER -91.86 -18.9 23.11 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 111.556 0.206 . . . . 1.0 111.556 -179.047 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.807 HG22 HG23 ' A' 1800 ' ' VAL . 65.7 mt -60.7 -46.16 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 120.953 0.406 . . . . 1.0 110.771 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.5 mt-10 -65.1 -50.96 58.37 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 116.196 -0.457 . . . . 1.0 112.176 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.444 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 21.6 Cg_endo -62.62 -26.11 75.61 Favored 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.17 1.913 . . . . 1.0 112.594 173.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 1.035 HD13 ' HE3' ' A' 1734 ' ' MET . 8.9 tt -68.68 -39.98 80.34 Favored 'General case' 0 C--O 1.225 -0.188 0 N-CA-C 109.441 -0.577 . . . . 1.0 109.441 175.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . 0.586 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -60.38 -42.74 96.48 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.273 -0.64 . . . . 1.0 109.273 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 13.6 m -60.29 -44.98 94.88 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.917 -1.038 . . . . 1.0 110.596 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.627 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.61 -40.46 92.66 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.938 -0.574 . . . . 1.0 111.082 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.422 ' CB ' HD11 ' A' 1796 ' ' LEU . . . -59.71 -44.88 93.53 Favored 'General case' 0 C--O 1.213 -0.825 0 CA-C-N 115.949 -0.569 . . . . 1.0 111.39 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.586 ' HG2' ' O ' ' A' 1717 ' ' ALA . 3.6 ptt180 -86.66 -11.51 51.11 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 113.003 0.742 . . . . 1.0 113.003 -178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -140.78 -59.98 0.51 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 113.396 0.888 . . . . 1.0 113.396 -174.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.627 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 69.5 mt-10 -77.11 82.66 3.61 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.637 0.236 . . . . 1.0 111.637 -172.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.82 70.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.552 -0.295 . . . . 1.0 111.772 -178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 50.8 m -84.68 -27.64 26.93 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.828 0.307 . . . . 1.0 111.828 -175.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -97.6 -19.78 18.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.416 0.627 . . . . 1.0 110.292 -174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.2 tp -53.76 -47.24 70.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.669 -1.15 . . . . 1.0 112.484 -177.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -50.58 -44.38 46.68 Favored Glycine 0 CA--C 1.517 0.192 0 O-C-N 123.656 0.598 . . . . 1.0 112.859 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 35.5 m-70 -66.33 -38.86 88.62 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.74 0.274 . . . . 1.0 111.74 178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 21.4 mmtp -60.56 -49.81 76.05 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.564 -0.532 . . . . 1.0 109.564 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.767 HG13 HD22 ' A' 1776 ' ' LEU . 50.4 t -61.19 -44.17 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.359 -0.837 . . . . 1.0 110.655 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 17.6 t -60.24 -43.71 95.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.556 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.705 ' O ' ' HG2' ' A' 1736 ' ' GLN . 47.1 mt-30 -67.4 -41.33 85.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.433 -179.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 1.035 ' HE3' HD13 ' A' 1716 ' ' LEU . 55.4 ttm -64.86 -42.99 94.43 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.965 0.412 . . . . 1.0 110.337 -178.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.77 -31.83 70.0 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.989 -0.55 . . . . 1.0 111.158 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.705 ' HG2' ' O ' ' A' 1733 ' ' GLN . 16.3 pt20 -69.26 -29.2 67.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.798 -177.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.441 ' O ' ' HB2' ' A' 1741 ' ' LEU . 34.7 m-85 -77.21 -35.9 55.29 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-O 120.758 0.314 . . . . 1.0 111.257 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.637 ' CE1' HD13 ' A' 1709 ' ' ILE . 8.7 m-85 -67.48 -24.38 65.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.363 0.505 . . . . 1.0 112.363 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.449 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -65.74 -58.65 10.9 Favored Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 120.835 -0.346 . . . . 1.0 111.089 -179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.449 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 19.0 Cg_endo -64.14 -34.53 57.01 Favored 'Trans proline' 0 C--N 1.358 1.061 0 C-N-CA 121.511 1.474 . . . . 1.0 112.19 174.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.628 HD22 HG23 ' A' 1765 ' ' THR . 0.8 OUTLIER -57.23 -45.75 83.6 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.353 -0.61 . . . . 1.0 109.353 178.387 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.807 HG23 ' HG ' ' A' 1675 ' ' LEU . 37.9 m -58.35 -56.48 21.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.406 -0.816 . . . . 1.0 110.962 174.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.539 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 82.0 mt -59.02 -45.97 89.38 Favored 'General case' 0 C--O 1.228 -0.074 0 CA-C-O 120.877 0.37 . . . . 1.0 111.302 -177.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.2 86.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.728 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -66.44 -42.12 88.14 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.422 -0.354 . . . . 1.0 110.69 177.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' 1742 ' ' THR . 25.1 t -64.5 -37.38 79.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -61.88 -40.96 99.54 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.905 -0.588 . . . . 1.0 112.282 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' 1761 ' ' LEU . . . -57.95 -36.74 72.98 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 122.085 0.154 . . . . 1.0 110.847 176.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.732 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.4 -56.92 12.86 Favored 'General case' 0 C--N 1.331 -0.217 0 O-C-N 123.674 0.608 . . . . 1.0 112.61 -176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.451 ' HB3' HD12 ' A' 1687 ' ' LEU . 47.2 p -82.61 -21.27 35.19 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.022 -0.671 . . . . 1.0 111.833 -175.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.585 ' HD2' ' HD2' ' A' 1690 ' ' ARG . 42.1 tttp -84.53 -51.06 7.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.908 0.385 . . . . 1.0 111.402 -174.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 53.8 m -80.83 96.0 6.86 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.264 0.554 . . . . 1.0 110.722 -178.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.1 15.77 26.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.411 0.624 . . . . 1.0 110.027 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' 1755 ' ' HIS . 6.3 m -85.73 63.09 7.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.516 -0.766 . . . . 1.0 110.204 -179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.794 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 44.9 m80 71.46 170.02 0.12 Allowed Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.254 -175.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.794 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 45.2 Cg_endo -67.26 29.87 0.12 Allowed 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 123.064 2.509 . . . . 1.0 114.791 -173.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -64.62 -38.42 90.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.222 0.534 . . . . 1.0 109.729 174.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.732 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 3.9 pm0 -67.6 -38.89 84.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.329 -0.85 . . . . 1.0 109.678 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 85.8 mmm -64.51 -38.06 89.71 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.626 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -62.7 -53.48 53.75 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.922 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.544 HD22 HD23 ' A' 1814 ' ' LEU . 4.5 pp -71.56 -29.36 64.65 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.351 -0.54 . . . . 1.0 110.549 -177.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.694 HD22 ' HB2' ' A' 1749 ' ' ALA . 41.3 tp -60.1 -56.79 17.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.005 0.431 . . . . 1.0 110.515 175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 13.1 t70 -68.44 -35.37 77.49 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.878 -0.601 . . . . 1.0 110.773 -178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -64.37 -34.63 78.6 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.608 -0.269 . . . . 1.0 111.209 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.628 HG23 HD22 ' A' 1741 ' ' LEU . 91.7 m -62.66 -38.69 91.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.504 0.668 . . . . 1.0 109.639 174.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.561 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 33.4 ttpt -68.82 -39.89 79.77 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.273 177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 44.4 m -57.79 -43.96 85.96 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.214 0.53 . . . . 1.0 110.175 172.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 63.1 tp -62.83 -36.49 83.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.805 -0.634 . . . . 1.0 110.399 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.07 98.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.856 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -64.38 -40.51 95.96 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.933 0.397 . . . . 1.0 110.241 175.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 19.0 m -63.67 -43.28 97.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.852 -0.613 . . . . 1.0 110.15 177.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.34 -34.26 74.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.721 -0.672 . . . . 1.0 111.321 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 15.3 tp -65.52 -41.78 92.74 Favored 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.821 -0.437 . . . . 1.0 109.821 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -63.96 -35.96 82.4 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.72 -0.474 . . . . 1.0 109.72 175.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.713 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.58 -54.09 37.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.937 177.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.767 HD22 HG13 ' A' 1731 ' ' VAL . 41.4 mt -61.62 -34.25 75.33 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.74 0.305 . . . . 1.0 110.876 179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -63.24 -48.68 77.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.477 -0.328 . . . . 1.0 111.36 177.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.3 p -73.16 -33.79 65.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.794 0.331 . . . . 1.0 110.902 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . 0.421 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -66.89 -33.4 75.5 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.972 177.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.567 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 24.2 ttpt -75.89 -38.6 57.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.342 0.591 . . . . 1.0 110.113 176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.529 ' HG3' ' HG2' ' A' 1652 ' ' PRO . 31.7 tt0 -70.54 -43.65 69.1 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.036 -176.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.478 ' HA ' ' CB ' ' A' 1789 ' ' ALA . . . -83.89 -13.85 52.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.035 -0.529 . . . . 1.0 111.621 178.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . 0.473 ' O ' ' HB3' ' A' 1655 ' ' ALA . . . -46.26 108.93 0.29 Allowed Glycine 0 C--O 1.226 -0.352 0 N-CA-C 115.413 0.925 . . . . 1.0 115.413 -163.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 73.74 13.01 80.75 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 114.816 -0.692 . . . . 1.0 112.988 173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.908 HD21 ' HB2' ' A' 1788 ' ' GLN . 37.2 t30 -150.81 97.48 3.24 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 121.349 0.595 . . . . 1.0 111.22 -176.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -79.76 -8.72 14.6 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.686 2.257 . . . . 1.0 112.714 -177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -93.44 -60.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.387 0.514 . . . . 1.0 112.387 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.908 ' HB2' HD21 ' A' 1785 ' ' ASN . 54.6 mt-30 -70.86 -19.15 62.66 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.787 -0.365 . . . . 1.0 111.008 -177.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.696 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -103.72 55.88 0.74 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.118 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -60.64 -54.89 39.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.628 -0.715 . . . . 1.0 112.34 -174.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m80 -73.57 -20.06 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.979 0.419 . . . . 1.0 110.625 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.696 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 19.2 m -69.3 -27.92 65.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.237 178.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -56.99 -39.0 73.83 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.498 0.666 . . . . 1.0 109.9 175.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.95 -46.12 54.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.48 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -69.35 -27.72 65.59 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.304 -177.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' 1792 ' ' THR . 0.4 OUTLIER -61.8 -30.48 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.638 -0.71 . . . . 1.0 109.725 176.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -74.2 -33.59 63.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.79 -0.641 . . . . 1.0 110.549 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -69.01 -39.61 79.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.488 -0.778 . . . . 1.0 110.173 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -72.72 -43.11 63.39 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.717 -0.674 . . . . 1.0 111.875 -176.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.807 HG23 HG22 ' A' 1713 ' ' ILE . 11.1 p -63.27 -32.0 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-O 121.019 0.438 . . . . 1.0 111.116 -178.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.425 ' O ' HG22 ' A' 1804 ' ' THR . 78.8 mt-30 -81.25 -38.33 27.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.551 176.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 52.0 ttm -58.86 -38.3 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.856 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.702 ' HB3' HD13 ' A' 1713 ' ' ILE . 74.8 mtp -68.96 -52.69 26.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.433 . . . . 1.0 111.46 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.425 HG22 ' O ' ' A' 1801 ' ' GLN . 5.7 t -59.3 -33.25 70.86 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 111.697 0.258 . . . . 1.0 111.697 -171.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -75.9 -32.15 59.52 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 120.667 -0.413 . . . . 1.0 110.532 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -74.59 -27.39 60.46 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.25 0.548 . . . . 1.0 109.872 176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.743 HG13 HG22 ' A' 1706 ' ' VAL . 71.4 t -60.75 -53.89 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.551 -0.749 . . . . 1.0 110.388 174.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -65.23 -34.11 77.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.298 177.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 34.7 t70 -58.44 -54.9 41.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.368 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 24.5 tp -63.85 -45.84 87.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.469 -0.787 . . . . 1.0 110.52 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.403 HG23 HD23 ' A' 1703 ' ' LEU . 19.9 m -50.46 -43.96 55.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.6 -0.727 . . . . 1.0 111.765 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.513 ' O ' ' HG2' ' A' 1816 ' ' GLU . 52.1 m -57.4 -53.62 56.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.626 -0.261 . . . . 1.0 110.97 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 6.2 m -59.66 -40.89 89.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.202 0.525 . . . . 1.0 110.874 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.544 HD23 HD22 ' A' 1761 ' ' LEU . 90.5 mt -64.25 -46.5 83.48 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.784 -0.644 . . . . 1.0 111.72 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.752 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -71.74 -23.98 61.7 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.345 -176.183 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' 1812 ' ' THR . 8.4 mm-40 -72.53 -48.69 38.26 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.711 -0.848 . . . . 1.0 108.711 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -53.58 -21.19 6.15 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.254 -0.884 . . . . 1.0 113.118 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -54.91 -50.63 68.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.874 0.369 . . . . 1.0 110.852 177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 6.9 m -104.91 -23.4 13.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 1.0 110.714 177.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -81.25 -21.25 39.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.934 -0.576 . . . . 1.0 111.767 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.456 ' HB1' HG23 ' A' 1752 ' ' THR . . . -125.01 12.37 8.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.949 0.404 . . . . 1.0 110.836 -179.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.921 0 CA-C-O 118.469 -1.184 . . . . 1.0 111.728 -178.151 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.932 -0.467 . . . . 1.0 111.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 31.0 pt -91.74 125.41 44.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.008 0.432 . . . . 1.0 110.541 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -76.6 114.7 41.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.208 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.79 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 33.4 Cg_exo -61.69 -42.93 29.09 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.725 2.283 . . . . 1.0 113.264 -176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.46 ' H ' ' HG2' ' A' 1658 ' ' GLN . 10.1 m-85 -125.86 42.48 3.29 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 113.528 0.936 . . . . 1.0 113.528 -173.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.8 m 67.47 33.85 4.99 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 114.288 1.218 . . . . 1.0 114.288 159.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.403 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -156.05 163.58 24.31 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 121.167 -0.958 . . . . 1.0 112.824 -177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.525 ' O ' ' HB1' ' A' 1724 ' ' ALA . 2.8 Cg_exo -81.02 109.15 2.14 Favored 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 123.794 2.996 . . . . 1.0 112.171 169.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 145.65 -34.11 1.5 Allowed Glycine 0 CA--C 1.508 -0.395 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.79 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 16.1 mp0 -50.14 -41.1 48.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 114.978 -0.611 . . . . 1.0 111.147 175.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.6 tp -61.22 -54.61 42.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.776 178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -60.22 -30.49 69.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.984 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.681 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.2 m -73.57 -42.07 62.09 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.095 177.449 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -66.42 -41.31 89.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.271 -177.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 20.2 p -68.0 -39.63 83.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.725 -0.67 . . . . 1.0 111.118 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.9 71.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.173 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.484 HG23 HD11 ' A' 1773 ' ' LEU . 33.1 mt -57.26 -40.64 75.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.638 -0.255 . . . . 1.0 111.247 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.35 93.82 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.856 0.36 . . . . 1.0 111.02 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.7 -39.43 61.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.376 0.608 . . . . 1.0 110.238 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.1 -32.9 74.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.325 -0.852 . . . . 1.0 110.173 177.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -63.44 -41.04 98.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.436 -0.802 . . . . 1.0 109.658 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 27.7 t -65.85 -36.46 83.52 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.73 -1.123 . . . . 1.0 110.366 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.62 ' HB3' ' OG1' ' A' 1742 ' ' THR . 68.6 m -67.92 -42.85 80.43 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.871 -0.418 . . . . 1.0 109.871 176.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 52.1 tp -57.37 -44.45 84.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.016 175.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 42.5 ttp180 -56.15 -53.47 56.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.108 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -60.6 -42.19 96.29 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.108 -0.496 . . . . 1.0 111.425 -178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.766 ' HB3' ' HB2' ' A' 1766 ' ' LYS . 34.3 mt -65.9 -43.08 89.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.352 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.88 -50.37 72.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.545 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.98 -27.41 65.69 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.659 -0.7 . . . . 1.0 110.875 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.28 83.09 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.863 176.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 34.6 t -63.57 -42.53 98.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.009 0.433 . . . . 1.0 110.555 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.452 ' O ' HG12 ' A' 1683 ' ' VAL . 48.5 tp -66.35 -37.9 86.39 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.228 -178.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.738 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -79.8 -31.87 40.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.817 0.342 . . . . 1.0 111.117 178.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.97 -37.95 82.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.817 0.341 . . . . 1.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' 1680 ' ' LEU . 10.7 p -68.78 -22.12 26.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.101 0.477 . . . . 1.0 110.549 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 31.2 p -101.48 4.11 40.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.914 177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 66.67 15.48 10.13 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.162 0.585 . . . . 1.0 112.214 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -101.15 14.66 31.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.878 0.37 . . . . 1.0 110.746 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.738 HD23 ' HB3' ' A' 1681 ' ' ALA . 1.8 tm? -88.06 130.03 35.11 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.177 -176.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.515 ' O ' HD13 ' A' 1687 ' ' LEU . . . -70.25 140.63 88.0 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.392 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.756 ' HA ' ' HB3' ' A' 1750 ' ' SER . 31.1 Cg_exo -60.22 179.61 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.385 0 C-N-CA 123.128 2.552 . . . . 1.0 113.478 -179.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.849 ' HG3' ' H ' ' A' 1692 ' ' GLY . 17.7 tpt180 -58.29 142.13 48.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.187 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.533 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 42.3 mm-40 -47.21 -27.98 1.71 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.356 -0.838 . . . . 1.0 112.149 177.185 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.849 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 144.18 72.05 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.519 -0.848 . . . . 1.0 113.301 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' 1693 ' ' ILE . 7.1 tp -160.5 162.2 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-N 117.185 0.492 . . . . 1.0 110.585 175.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 3.2 m -66.14 162.84 18.87 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.799 -177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -68.28 -45.85 71.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.038 -0.528 . . . . 1.0 111.146 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -67.71 -28.29 67.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.012 178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -72.09 -24.77 61.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.682 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.752 HD21 ' HD3' ' A' 1690 ' ' ARG . 70.1 mt -64.97 -41.8 95.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.075 174.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' 1815 ' ' ASN . 2.2 t-80 -56.17 -49.23 74.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.845 -0.616 . . . . 1.0 109.99 174.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.8 m -63.56 -51.87 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.589 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -55.96 -52.36 64.43 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 111.278 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.566 ' O ' HG23 ' A' 1706 ' ' VAL . 45.8 mmm -62.21 -54.17 44.8 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.021 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.604 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -57.15 -38.86 74.16 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.993 -175.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 58.1 m -57.11 -52.49 65.09 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.892 0.377 . . . . 1.0 111.042 176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.585 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -70.16 -46.74 64.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.033 -0.53 . . . . 1.0 111.75 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.826 HG12 HG13 ' A' 1807 ' ' VAL . 92.3 t -54.48 -43.19 62.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.998 -173.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' 1703 ' ' LEU . 36.8 mt-30 -66.22 -43.81 85.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.817 0.341 . . . . 1.0 110.841 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.88 -26.72 67.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 1.0 111.253 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' 1713 ' ' ILE . 70.8 mt -65.5 -56.77 13.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.965 -0.383 . . . . 1.0 109.965 173.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.739 ' HB2' HG11 ' A' 1807 ' ' VAL . 8.9 t -55.33 -38.1 68.29 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.358 0.599 . . . . 1.0 109.934 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.0 t-160 -56.71 -37.42 70.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.992 -1.004 . . . . 1.0 110.863 177.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.821 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -92.45 -19.3 22.17 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 116.676 -0.238 . . . . 1.0 111.583 -178.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.875 HG22 HG23 ' A' 1800 ' ' VAL . 71.0 mt -61.23 -45.9 97.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.886 -177.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.433 ' N ' ' HD2' ' A' 1715 ' ' PRO . 41.2 mt-10 -61.05 -53.99 58.38 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.884 -178.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1714 ' ' GLU . 22.3 Cg_endo -61.77 -29.86 83.84 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.221 1.947 . . . . 1.0 112.612 176.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.815 HD13 ' HE3' ' A' 1734 ' ' MET . 6.9 tt -66.43 -46.89 74.98 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -63.68 -41.09 98.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.374 0.607 . . . . 1.0 109.966 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 20.6 m -63.84 -38.03 89.59 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.022 -0.99 . . . . 1.0 111.167 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.35 56.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.868 178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -54.33 -45.51 72.66 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.932 0.396 . . . . 1.0 111.478 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -71.9 -12.15 61.13 Favored 'General case' 0 C--N 1.319 -0.761 0 N-CA-C 112.493 0.553 . . . . 1.0 112.493 -176.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -146.16 -67.51 0.28 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.313 0.857 . . . . 1.0 113.313 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -87.0 103.34 15.26 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.694 0.627 . . . . 1.0 112.694 -172.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.606 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.55 -41.08 80.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.597 179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 8.2 m -62.22 -24.62 67.34 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.986 -0.552 . . . . 1.0 112.291 -172.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.479 ' O ' ' HG2' ' A' 1730 ' ' LYS . 91.5 mt-30 -95.07 -33.86 12.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.496 0.665 . . . . 1.0 109.516 -177.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.438 HD11 ' HB1' ' A' 1779 ' ' ALA . 5.6 tp -55.03 -48.51 73.3 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 114.476 -1.238 . . . . 1.0 112.66 -176.179 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.35 -36.48 46.01 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.07 -0.513 . . . . 1.0 113.072 -178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.412 ' O ' ' HG3' ' A' 1733 ' ' GLN . 86.3 m-70 -75.74 -32.07 59.84 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.615 -0.344 . . . . 1.0 111.041 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.495 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 58.4 mmtt -62.7 -47.23 84.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.326 0.584 . . . . 1.0 109.559 178.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.723 HG13 HD22 ' A' 1776 ' ' LEU . 47.8 t -59.99 -43.24 92.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 114.964 -1.017 . . . . 1.0 110.687 -179.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.2 t -56.19 -43.31 78.31 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.838 -0.619 . . . . 1.0 110.367 176.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.692 ' O ' ' HG2' ' A' 1736 ' ' GLN . 79.4 mt-30 -67.94 -49.5 61.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.245 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.821 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.1 ttm -60.49 -41.65 94.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.875 0.369 . . . . 1.0 110.957 -175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -69.41 -34.66 74.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.355 -176.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.692 ' HG2' ' O ' ' A' 1733 ' ' GLN . 17.0 pt20 -69.63 -27.72 65.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.104 -174.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.468 ' O ' ' HG ' ' A' 1741 ' ' LEU . 39.5 m-85 -80.1 -33.7 38.54 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 111.664 0.246 . . . . 1.0 111.664 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.534 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.3 m-85 -71.04 -23.9 62.25 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.364 0.505 . . . . 1.0 112.364 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -63.72 -58.28 15.72 Favored Pre-proline 0 CA--C 1.538 0.517 0 C-N-CA 120.712 -0.395 . . . . 1.0 111.091 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_endo -61.08 -37.17 77.66 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 121.644 1.563 . . . . 1.0 112.307 175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' 1705 ' ' ALA . 24.2 mt -57.23 -45.25 84.07 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 120.827 0.346 . . . . 1.0 110.756 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 53.1 m -53.92 -56.33 18.71 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.786 -0.643 . . . . 1.0 110.544 174.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.533 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 73.9 mt -66.84 -30.18 70.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.021 0.439 . . . . 1.0 111.425 -177.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.521 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -73.54 -39.76 64.5 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.299 179.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -72.68 -43.38 63.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.101 177.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1742 ' ' THR . 60.2 t -62.55 -33.33 59.03 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 N-CA-C 109.423 -0.584 . . . . 1.0 109.423 175.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.87 -49.48 78.11 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.734 -0.746 . . . . 1.0 111.31 172.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.504 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -62.04 -28.35 69.53 Favored 'General case' 0 C--O 1.223 -0.3 0 C-N-CA 122.362 0.265 . . . . 1.0 111.451 178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.64 ' HA ' ' HG3' ' A' 1758 ' ' GLN . . . -57.11 -55.73 30.88 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.106 0.479 . . . . 1.0 111.216 177.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.756 ' HB3' ' HA ' ' A' 1689 ' ' PRO . 11.8 t -82.25 -32.21 29.79 Favored 'General case' 0 C--N 1.314 -0.941 0 C-N-CA 119.984 -0.686 . . . . 1.0 111.167 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 49.5 tttp -79.77 -35.1 39.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.031 -0.531 . . . . 1.0 111.539 -173.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.442 HG23 ' HB1' ' A' 1821 ' ' ALA . 40.2 m -98.76 127.01 44.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.319 -0.4 . . . . 1.0 110.988 -178.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 35.3 tp -124.7 -6.57 7.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.117 0.484 . . . . 1.0 110.149 175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . 0.554 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 4.0 m -69.37 101.78 1.62 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.625 -0.716 . . . . 1.0 111.825 -174.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.961 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 18.0 m-70 63.78 -169.19 0.02 OUTLIER Pre-proline 0 CA--C 1.546 0.796 0 CA-C-O 119.138 -0.458 . . . . 1.0 109.915 174.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.961 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 71.6 Cg_endo -77.61 20.33 0.7 Allowed 'Trans proline' 0 C--N 1.353 0.768 0 C-N-CA 121.499 1.466 . . . . 1.0 114.013 178.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -64.23 -46.71 82.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.934 0.397 . . . . 1.0 110.857 -178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.64 ' HG3' ' HA ' ' A' 1749 ' ' ALA . 4.3 tt0 -54.01 -58.91 5.55 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.442 -0.799 . . . . 1.0 111.694 -179.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 17.4 mmt -69.7 -29.8 67.3 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.542 -173.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' 1764 ' ' GLN . . . -64.94 -52.55 55.73 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.827 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.504 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -76.6 -32.94 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.223 -0.591 . . . . 1.0 110.692 -177.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' 1749 ' ' ALA . 55.8 tp -60.01 -55.87 28.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.126 0.489 . . . . 1.0 110.328 176.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 22.9 t70 -63.65 -40.14 96.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.868 -178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.562 ' HG3' ' O ' ' A' 1760 ' ' ALA . 41.2 mt-30 -67.09 -35.19 79.26 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 112.088 0.403 . . . . 1.0 112.088 -179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 53.4 m -62.74 -37.01 84.87 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.089 -0.708 . . . . 1.0 109.089 176.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.766 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 23.2 ttpt -69.14 -45.53 69.88 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.045 -0.98 . . . . 1.0 110.46 175.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.8 m -59.2 -45.23 91.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.632 175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.493 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.0 tp -63.11 -31.86 73.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.005 177.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.18 -39.13 89.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.268 174.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.94 -42.15 94.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.972 -0.381 . . . . 1.0 109.972 174.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 5.6 m -59.73 -47.02 87.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.16 176.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.444 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -66.95 -36.48 82.3 Favored 'General case' 0 CA--C 1.514 -0.44 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.798 178.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.504 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 16.0 tp -64.41 -49.6 70.91 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -58.27 -37.1 74.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.019 175.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.804 HD11 HD22 ' A' 1716 ' ' LEU . 3.1 tm? -65.35 -53.99 35.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.712 -0.676 . . . . 1.0 110.036 177.659 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.723 HD22 HG13 ' A' 1731 ' ' VAL . 55.7 mt -61.98 -33.57 74.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.529 0.205 . . . . 1.0 110.833 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.504 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 7.5 m-85 -63.39 -51.33 66.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.815 0.34 . . . . 1.0 111.069 175.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . 0.573 ' HB ' ' HG ' ' A' 1796 ' ' LEU . 11.8 p -67.77 -38.41 83.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.936 0.398 . . . . 1.0 111.051 -178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' 1727 ' ' LEU . . . -66.79 -24.37 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.772 176.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.571 ' O ' ' HG3' ' A' 1658 ' ' GLN . 35.2 ttpt -72.6 -44.67 61.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.04 0.447 . . . . 1.0 110.072 178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' 1653 ' ' PHE . 0.5 OUTLIER -70.29 -52.94 19.16 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.345 -0.389 . . . . 1.0 111.98 178.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.53 -21.83 38.31 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.307 0.484 . . . . 1.0 112.307 -173.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -52.37 95.33 0.01 OUTLIER Glycine 0 C--O 1.227 -0.343 0 N-CA-C 115.522 0.969 . . . . 1.0 115.522 -167.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.606 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 111.96 -11.3 27.19 Favored Glycine 0 N--CA 1.444 -0.804 0 C-N-CA 120.877 -0.678 . . . . 1.0 113.014 169.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.431 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.2 OUTLIER -154.75 103.98 2.32 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-O 121.433 0.635 . . . . 1.0 111.979 -177.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' 1785 ' ' ASN . 32.0 Cg_endo -65.39 -25.82 56.04 Favored 'Trans proline' 0 N--CA 1.462 -0.367 0 C-N-CA 122.773 2.315 . . . . 1.0 112.043 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -81.66 -4.94 57.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.472 . . . . 1.0 111.814 -176.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -107.55 3.73 25.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.877 0.37 . . . . 1.0 110.666 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.807 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.29 128.75 16.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 1.0 111.07 -179.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -111.56 -76.68 0.59 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.482 -0.326 . . . . 1.0 110.978 -178.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . 0.569 ' O ' ' HG2' ' A' 1794 ' ' GLU . 27.8 p-80 -67.93 -7.9 32.37 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 121.328 0.585 . . . . 1.0 110.51 179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.807 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 39.0 m -70.9 -32.3 69.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.818 -0.628 . . . . 1.0 110.196 173.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -65.62 -42.41 91.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.959 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' 1791 ' ' HIS . 10.0 pt-20 -64.97 -48.48 73.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.87 0.843 . . . . 1.0 110.163 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1794 ' ' GLU . . . -70.12 -27.84 64.89 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 114.461 -1.245 . . . . 1.0 112.418 -177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' 1778 ' ' THR . 0.4 OUTLIER -60.41 -33.12 72.04 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.416 0.626 . . . . 1.0 109.438 176.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1800 ' ' VAL . 41.5 mt-10 -78.66 -42.13 29.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.618 -0.719 . . . . 1.0 110.34 -178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' 1802 ' ' MET . 43.0 mt-10 -56.87 -38.46 72.77 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.521 174.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.11 -50.41 61.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.883 -0.599 . . . . 1.0 111.552 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.875 HG23 HG22 ' A' 1713 ' ' ILE . 8.8 p -62.05 -40.56 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 121.076 -0.249 . . . . 1.0 110.82 -179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.46 HE21 HG13 ' A' 1800 ' ' VAL . 33.0 mm-40 -67.54 -41.25 84.62 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.793 0.33 . . . . 1.0 110.726 178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.519 ' HB2' ' O ' ' A' 1798 ' ' GLU . 0.0 OUTLIER -61.82 -50.13 73.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.02 -178.108 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.736 ' HB3' HD13 ' A' 1713 ' ' ILE . 64.1 mtp -56.53 -51.9 66.8 Favored 'General case' 0 CA--C 1.51 -0.571 0 C-N-CA 121.024 -0.27 . . . . 1.0 110.509 176.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.45 ' O ' ' HG2' ' A' 1808 ' ' GLU . 94.8 m -50.58 -48.36 57.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 123.712 0.633 . . . . 1.0 111.788 -176.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -70.34 -37.83 74.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.832 0.348 . . . . 1.0 110.881 -179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.429 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.88 -36.44 78.09 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.852 -178.099 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.826 HG13 HG12 ' A' 1706 ' ' VAL . 29.9 t -56.6 -51.49 65.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 114.934 -1.03 . . . . 1.0 111.045 175.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' 1804 ' ' THR . 9.1 mm-40 -62.81 -36.86 84.54 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.906 -178.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 4.9 t70 -77.06 -45.49 26.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.43 -173.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' 1814 ' ' LEU . 21.1 tp -58.04 -43.1 86.64 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.501 -0.555 . . . . 1.0 109.501 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.604 HG23 HD23 ' A' 1703 ' ' LEU . 17.7 m -55.18 -44.76 75.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.949 -1.023 . . . . 1.0 111.168 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.633 ' O ' ' HG3' ' A' 1816 ' ' GLU . 59.6 m -56.91 -54.98 40.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.71 -0.223 . . . . 1.0 110.597 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.1 m -57.07 -39.21 74.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 1.0 111.21 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' 1810 ' ' LEU . 97.1 mt -66.52 -41.93 88.06 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.795 -0.638 . . . . 1.0 111.47 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.592 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -70.84 -29.67 65.87 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.945 -178.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.633 ' HG3' ' O ' ' A' 1812 ' ' THR . 45.6 mt-10 -70.77 -41.3 71.91 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.954 -0.758 . . . . 1.0 108.954 174.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' 1821 ' ' ALA . . . -54.35 -17.06 2.6 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.46 -0.791 . . . . 1.0 112.815 -176.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.95 -54.18 49.57 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.802 0.334 . . . . 1.0 110.515 174.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.4 p -105.17 -33.89 8.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.112 0.482 . . . . 1.0 111.446 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.2 -8.47 57.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.231 -173.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.554 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -117.44 18.17 14.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.78 0.324 . . . . 1.0 111.294 -178.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 119.008 -0.884 . . . . 1.0 111.862 179.513 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.775 0 N-CA-C 111.626 -0.589 . . . . 1.0 111.626 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 12.2 tt -145.52 143.13 22.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.798 0.332 . . . . 1.0 110.245 177.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -112.47 83.66 5.61 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.716 -0.846 . . . . 1.0 108.716 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.28 -9.6 24.55 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.748 2.299 . . . . 1.0 113.459 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.702 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 97.4 m-85 -96.09 20.86 9.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.74 0.305 . . . . 1.0 111.408 -176.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 5.1 m 69.79 38.1 1.71 Allowed 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.684 0.624 . . . . 1.0 112.684 165.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -166.73 167.66 7.77 Favored Pre-proline 0 C--N 1.33 -0.254 0 O-C-N 121.72 -0.612 . . . . 1.0 112.535 -177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.592 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.9 Cg_exo -82.01 142.54 12.44 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.404 2.736 . . . . 1.0 111.233 167.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 111.01 -25.45 14.19 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.258 -0.972 . . . . 1.0 112.223 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.702 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.4 mp0 -55.19 -48.07 74.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.675 0.274 . . . . 1.0 110.905 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 38.0 tp -54.19 -50.73 66.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.217 175.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -58.34 -37.66 75.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.722 -0.672 . . . . 1.0 110.979 -178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.807 ' HA ' HG11 ' A' 1731 ' ' VAL . 65.4 m -71.01 -44.78 65.17 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.22 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -60.86 -47.27 87.16 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.647 -0.706 . . . . 1.0 111.404 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -67.15 -32.56 73.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.765 0.317 . . . . 1.0 110.689 -177.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . 0.502 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -71.99 -38.5 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.391 -0.368 . . . . 1.0 110.511 177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.453 HG23 HD11 ' A' 1773 ' ' LEU . 37.3 mt -57.98 -42.59 83.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 111.099 178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.39 -34.97 79.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.695 0.283 . . . . 1.0 111.321 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.75 -43.13 38.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.355 0.598 . . . . 1.0 110.22 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 50.9 tp -65.34 -34.64 78.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.23 -0.896 . . . . 1.0 110.215 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -60.58 -43.43 97.35 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.574 -0.739 . . . . 1.0 109.807 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 45.9 t -67.17 -40.5 86.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.183 -0.917 . . . . 1.0 110.555 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.545 ' HB3' ' OG1' ' A' 1742 ' ' THR . 62.9 m -67.75 -34.17 76.31 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.165 0.507 . . . . 1.0 109.695 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.544 HD11 ' HG3' ' A' 1770 ' ' GLU . 36.2 tp -62.93 -44.31 96.42 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.502 -0.772 . . . . 1.0 110.346 176.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -66.59 -41.56 88.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 1.0 111.015 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.77 -46.08 85.06 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.79 0.329 . . . . 1.0 110.253 175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.738 ' HG ' HG23 ' A' 1742 ' ' THR . 25.8 mt -63.64 -44.36 94.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.932 -0.577 . . . . 1.0 111.688 178.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.42 -43.04 95.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.714 -175.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -72.93 -30.69 64.09 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.363 178.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.473 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -59.87 -46.71 88.44 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.618 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.589 ' HA ' HD21 ' A' 1762 ' ' LEU . 21.3 t -58.97 -47.21 85.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.947 0.403 . . . . 1.0 110.479 177.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 55.3 tp -62.13 -37.03 83.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.694 -0.684 . . . . 1.0 111.095 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.79 -26.61 40.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.375 -0.375 . . . . 1.0 111.284 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -74.0 -43.4 58.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.626 0.251 . . . . 1.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.4 p -62.1 -27.15 41.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 1.0 110.313 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.8 p -105.13 10.37 33.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.929 179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 12.7 pt20 44.19 40.35 3.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.225 1.01 . . . . 1.0 112.813 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -97.06 -1.27 45.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.782 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' 1687 ' ' LEU . 15.9 mt -71.13 155.85 40.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.289 0.566 . . . . 1.0 112.283 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -95.14 159.38 33.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.077 173.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -49.88 154.78 4.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 123.031 2.487 . . . . 1.0 113.269 -177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.464 ' HD3' ' H ' ' A' 1693 ' ' ILE . 0.5 OUTLIER -48.52 157.8 0.33 Allowed 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.924 -0.58 . . . . 1.0 112.338 178.033 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.538 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 41.2 mm-40 -45.06 -54.54 6.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.703 -0.68 . . . . 1.0 111.205 179.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 164.01 74.08 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.65 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.464 ' H ' ' HD3' ' A' 1690 ' ' ARG . 10.4 tp -155.42 157.46 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 121.064 -0.254 . . . . 1.0 110.734 -171.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.6 m -88.26 171.96 9.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.449 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.521 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 26.4 tp60 -69.54 -50.84 41.07 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -176.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' 1699 ' ' HIS . 10.1 pt-20 -72.47 -22.58 61.05 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.558 0.694 . . . . 1.0 109.349 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.448 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -70.23 -33.53 71.76 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.437 -0.802 . . . . 1.0 109.957 176.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 44.1 mt -60.21 -41.08 92.26 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.072 0.463 . . . . 1.0 109.988 172.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.679 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 8.6 t60 -56.49 -49.27 75.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.738 -0.664 . . . . 1.0 110.221 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 89.9 m -70.69 -48.23 55.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.203 -0.453 . . . . 1.0 111.923 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -54.91 -53.75 51.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.088 0.47 . . . . 1.0 110.787 -176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.601 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 37.3 mmm -64.64 -57.18 9.76 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.621 -0.718 . . . . 1.0 111.69 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.58 ' O ' ' HG3' ' A' 1707 ' ' GLN . 2.7 tm? -55.68 -40.24 72.05 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.528 -173.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.734 ' HA ' HE21 ' A' 1707 ' ' GLN . 61.6 m -59.98 -45.21 93.44 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.796 0.331 . . . . 1.0 111.175 179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.644 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -68.23 -46.13 71.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.435 -0.348 . . . . 1.0 110.623 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.748 HG12 HG13 ' A' 1807 ' ' VAL . 97.0 t -54.06 -42.08 53.33 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.633 -177.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.734 HE21 ' HA ' ' A' 1704 ' ' THR . 47.6 mt-30 -56.45 -54.75 42.09 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-O 120.855 0.36 . . . . 1.0 111.055 177.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.44 -26.16 67.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.744 -176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.734 ' O ' HG13 ' A' 1713 ' ' ILE . 61.0 mt -63.11 -59.69 3.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.619 -0.512 . . . . 1.0 109.619 173.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.744 ' HB2' HG11 ' A' 1807 ' ' VAL . 33.1 t -56.81 -37.34 71.06 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.245 0.545 . . . . 1.0 110.259 -179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 17.7 t-160 -52.82 -44.14 66.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.763 -1.108 . . . . 1.0 110.589 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.83 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -91.53 -16.03 27.82 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.744 0.275 . . . . 1.0 111.744 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.859 HG22 HG23 ' A' 1800 ' ' VAL . 62.4 mt -60.96 -46.2 97.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.723 0.297 . . . . 1.0 110.835 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.432 ' N ' ' HD2' ' A' 1715 ' ' PRO . 35.0 mt-10 -63.19 -54.55 44.35 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.616 -178.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' 1714 ' ' GLU . 13.8 Cg_endo -57.46 -36.4 98.75 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 122.018 1.812 . . . . 1.0 112.35 175.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 1.034 HD13 ' HE3' ' A' 1734 ' ' MET . 7.5 tt -61.95 -46.68 88.24 Favored 'General case' 0 C--O 1.221 -0.424 0 N-CA-C 109.905 -0.406 . . . . 1.0 109.905 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.52 -39.43 87.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.99 0.424 . . . . 1.0 110.905 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 38.2 t -68.05 -40.93 82.7 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.699 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.9 -45.22 44.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.31 -178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.636 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -55.88 -39.61 71.77 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.466 -0.334 . . . . 1.0 111.815 -175.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' 1721 ' ' ARG . 12.3 ptm180 -74.38 -12.22 60.46 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.68 0.622 . . . . 1.0 112.68 -175.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . 0.423 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -155.74 -61.06 0.11 Allowed 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.523 0.564 . . . . 1.0 112.523 -178.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.6 84.08 6.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.248 0.547 . . . . 1.0 111.547 -174.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.697 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -74.7 -17.4 60.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.974 -0.557 . . . . 1.0 112.083 -175.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 31.8 t -66.13 -26.03 67.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.493 -0.321 . . . . 1.0 111.076 -177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.551 ' O ' ' HG2' ' A' 1730 ' ' LYS . 67.2 mt-30 -96.89 -28.88 14.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.801 0.81 . . . . 1.0 109.662 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.441 HD13 ' HB2' ' A' 1720 ' ' ALA . 16.0 tp -55.41 -47.36 76.02 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 113.953 -1.476 . . . . 1.0 113.341 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.65 -39.45 54.27 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.939 -0.648 . . . . 1.0 112.589 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 74.0 t60 -71.87 -38.16 70.07 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.66 0.267 . . . . 1.0 110.811 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' 1726 ' ' GLN . 59.2 mmtt -57.61 -55.21 37.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.218 0.533 . . . . 1.0 110.319 177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.807 HG11 ' HA ' ' A' 1661 ' ' CYS . 73.6 t -59.12 -45.72 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.078 -0.965 . . . . 1.0 111.448 -175.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 28.7 m -56.98 -36.92 70.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.479 . . . . 1.0 110.739 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.595 ' O ' ' HG2' ' A' 1736 ' ' GLN . 25.9 mt-30 -71.67 -46.04 60.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.116 178.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 1.034 ' HE3' HD13 ' A' 1716 ' ' LEU . 47.3 ttm -62.05 -37.55 85.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 1.0 111.102 -176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . 0.502 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -70.34 -39.32 74.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.277 -173.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' 1733 ' ' GLN . 7.8 pt20 -72.03 -33.44 68.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.954 -176.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -62.21 -33.83 75.31 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.785 0.326 . . . . 1.0 111.553 177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' 1709 ' ' ILE . 19.3 m-85 -73.56 -22.74 59.99 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.083 0.401 . . . . 1.0 112.083 -178.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.403 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 39.0 tt0 -57.69 -58.81 15.75 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-O 119.474 -0.298 . . . . 1.0 111.569 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.418 ' HD2' ' O ' ' A' 1736 ' ' GLN . 15.5 Cg_endo -61.91 -37.89 62.68 Favored 'Trans proline' 0 C--N 1.357 1.026 0 C-N-CA 121.686 1.591 . . . . 1.0 112.305 177.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.644 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.5 mt -59.43 -43.67 93.04 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 120.892 0.377 . . . . 1.0 110.949 -179.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.739 ' O ' HG23 ' A' 1746 ' ' VAL . 43.9 m -54.74 -55.94 24.52 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.283 174.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.538 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 79.2 mt -65.68 -39.73 91.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.26 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.535 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -65.81 -40.53 91.97 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.633 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -64.88 -44.49 89.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.035 177.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' 1742 ' ' THR . 20.0 t -62.39 -30.89 50.07 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-O 121.36 0.6 . . . . 1.0 109.513 176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -63.62 -49.91 65.65 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.618 -0.719 . . . . 1.0 112.177 175.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.618 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.48 -32.05 72.05 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.644 0.259 . . . . 1.0 111.087 177.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.595 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -57.49 -49.83 75.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.179 0.514 . . . . 1.0 111.398 177.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 40.1 t -81.31 -34.7 31.74 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.11 0.481 . . . . 1.0 111.038 -177.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.488 ' HE3' ' HB2' ' A' 1695 ' ' GLN . 44.3 tttp -80.31 -51.05 9.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.62 0.6 . . . . 1.0 112.62 -172.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 93.4 m -72.29 98.96 2.3 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.074 0.464 . . . . 1.0 111.493 -173.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 55.8 tp -98.41 84.8 3.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.175 0.512 . . . . 1.0 109.733 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.2 t -149.5 -159.13 0.99 Allowed 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.642 -0.873 . . . . 1.0 108.642 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.608 ' CD2' ' HG2' ' A' 1757 ' ' GLN . 15.1 p-80 -61.94 162.87 15.01 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 108.921 -0.77 . . . . 1.0 108.921 170.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -58.08 18.83 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 124.337 3.358 . . . . 1.0 117.3 -166.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.62 ' OE1' HG23 ' A' 1813 ' ' THR . 84.6 mm-40 -60.9 -32.96 72.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 118.789 0.722 . . . . 1.0 109.952 171.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.472 ' OE1' ' HG3' ' A' 1759 ' ' MET . 2.8 tt0 -53.22 -57.55 10.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.748 174.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . 0.472 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 84.1 mtp -73.03 -28.46 62.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.747 -179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -61.72 -54.53 41.32 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.164 -178.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.618 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -70.44 -31.49 68.69 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.321 -0.552 . . . . 1.0 109.754 -177.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.595 HD22 ' HB2' ' A' 1749 ' ' ALA . 60.5 tp -59.42 -51.74 68.62 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.718 -0.674 . . . . 1.0 110.444 175.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.0 t70 -69.81 -37.61 76.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.713 -0.676 . . . . 1.0 110.873 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -65.49 -37.85 88.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.525 -0.307 . . . . 1.0 111.286 178.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.403 HG22 HD11 ' A' 1675 ' ' LEU . 64.9 m -61.63 -42.04 98.33 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.188 0.518 . . . . 1.0 109.697 176.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.518 ' HA ' HD13 ' A' 1675 ' ' LEU . 20.6 ttpp -67.57 -42.4 82.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.292 177.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 92.3 m -56.27 -46.45 79.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.665 174.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.51 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 48.6 tp -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.359 177.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -68.54 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.968 177.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.544 ' HG3' HD11 ' A' 1672 ' ' LEU . 45.3 mt-10 -67.73 -36.53 80.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 1.0 109.96 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 8.1 t -66.11 -43.46 87.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.601 -0.727 . . . . 1.0 109.714 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.77 -36.45 84.35 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.64 177.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.0 tp -66.27 -42.2 88.79 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.405 -0.591 . . . . 1.0 109.405 178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.7 -41.07 94.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.897 -0.592 . . . . 1.0 109.638 174.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.816 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -62.45 -54.17 44.13 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.287 -0.869 . . . . 1.0 110.181 178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.785 HD22 HG13 ' A' 1731 ' ' VAL . 41.5 mt -64.01 -32.79 74.46 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.61 0.243 . . . . 1.0 111.397 -179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.92 -49.16 71.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.699 0.285 . . . . 1.0 111.1 177.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.0 p -69.35 -35.8 76.24 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.81 0.338 . . . . 1.0 110.858 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.25 -25.19 65.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.27 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.482 ' HE3' ' CE2' ' A' 1653 ' ' PHE . 33.3 ttpt -74.56 -42.83 58.1 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.125 0.488 . . . . 1.0 110.255 179.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.572 ' HB2' HG21 ' A' 1792 ' ' THR . 42.9 mt-10 -72.9 -48.76 34.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.66 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.618 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.06 -15.73 52.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 1.0 112.087 -174.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -48.27 96.02 0.01 OUTLIER Glycine 0 C--N 1.334 0.446 0 O-C-N 124.141 0.9 . . . . 1.0 114.238 -171.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.697 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.78 21.65 67.55 Favored Glycine 0 N--CA 1.451 -0.338 0 N-CA-C 112.014 -0.435 . . . . 1.0 112.014 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.837 HD21 ' HB2' ' A' 1788 ' ' GLN . 23.6 t30 -135.75 82.84 37.19 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-O 121.191 0.52 . . . . 1.0 110.477 -175.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -87.1 6.52 5.24 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.367 2.045 . . . . 1.0 111.637 176.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -97.3 -59.32 1.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.629 -177.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.837 ' HB2' HD21 ' A' 1785 ' ' ASN . 2.2 mp0 -81.74 -7.29 59.58 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.41 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.641 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -134.31 116.39 15.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.944 -0.571 . . . . 1.0 109.947 175.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -117.01 -57.16 2.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.862 0.363 . . . . 1.0 110.59 -177.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -73.0 -18.56 61.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.285 0.564 . . . . 1.0 109.548 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.641 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.6 m -63.44 -34.55 78.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.56 -0.745 . . . . 1.0 110.01 177.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -64.15 -32.35 73.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.264 178.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -77.21 -44.36 30.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.627 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.539 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -68.29 -27.14 66.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.375 0.607 . . . . 1.0 110.515 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.636 HD21 ' HB3' ' A' 1720 ' ' ALA . 53.2 tp -62.76 -31.23 72.14 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 115.705 -0.68 . . . . 1.0 109.794 172.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -78.29 -31.82 49.12 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.091 -0.504 . . . . 1.0 111.388 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.569 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.8 pt-20 -75.3 -30.43 60.38 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.888 -0.725 . . . . 1.0 109.615 175.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -67.4 -45.64 75.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.015 -0.539 . . . . 1.0 111.342 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.859 HG23 HG22 ' A' 1713 ' ' ILE . 7.2 p -59.85 -38.23 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.723 0.297 . . . . 1.0 110.79 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -66.34 -42.95 87.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.404 -0.362 . . . . 1.0 110.515 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.569 ' HG2' ' O ' ' A' 1798 ' ' GLU . 26.1 mmt -57.74 -48.78 78.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.773 ' HB3' HD13 ' A' 1713 ' ' ILE . 68.9 mtp -63.32 -48.77 76.64 Favored 'General case' 0 C--O 1.221 -0.4 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.54 177.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 54.2 m -49.46 -47.87 48.08 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.107 0.479 . . . . 1.0 111.531 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -68.2 -45.13 74.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.569 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -67.89 -29.62 68.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.227 0.537 . . . . 1.0 110.796 -174.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.748 HG13 HG12 ' A' 1706 ' ' VAL . 13.9 t -57.92 -54.85 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.369 -0.832 . . . . 1.0 110.807 175.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -68.51 -29.61 68.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.275 -0.42 . . . . 1.0 109.908 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.24 -53.45 48.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.629 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 22.5 tp -62.81 -41.17 99.19 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.802 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 17.6 m -53.77 -39.42 65.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.305 -0.861 . . . . 1.0 111.522 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.434 ' O ' ' HG2' ' A' 1816 ' ' GLU . 35.9 m -55.32 -56.29 21.75 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.632 0.253 . . . . 1.0 110.573 176.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.62 HG23 ' OE1' ' A' 1757 ' ' GLN . 17.8 m -59.54 -40.84 88.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.146 -178.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.8 mt -64.41 -44.34 91.57 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.255 0.55 . . . . 1.0 111.448 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.679 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.8 OUTLIER -67.7 -39.84 84.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.012 -179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' 1812 ' ' THR . 16.8 mm-40 -65.08 -41.36 95.11 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 109.465 -0.568 . . . . 1.0 109.465 176.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -52.69 -23.27 6.33 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.985 0.735 . . . . 1.0 112.985 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.02 -45.83 75.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.917 0.389 . . . . 1.0 110.756 177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.6 m -105.96 -37.62 6.59 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.891 175.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.57 71.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.99 -0.55 . . . . 1.0 112.272 -173.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -106.39 -2.62 21.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.708 -0.224 . . . . 1.0 111.584 -175.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . 0.521 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.927 -0.929 . . . . 1.0 112.407 -176.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.903 0 N-CA-C 111.914 -0.474 . . . . 1.0 111.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' 1651 ' ' ASP . 31.7 pt -83.88 -39.26 14.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.861 -0.422 . . . . 1.0 109.861 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.675 ' HB3' ' HB ' ' A' 1654 ' ' THR . 12.5 t70 171.36 100.37 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.272 0 N-CA-C 107.499 -1.297 . . . . 1.0 107.499 177.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -53.95 106.89 0.18 Allowed 'Trans proline' 0 N--CA 1.47 0.144 0 C-N-CA 123.463 2.775 . . . . 1.0 113.41 -171.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.688 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 41.6 m-85 58.66 44.67 17.05 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.747 0.784 . . . . 1.0 109.289 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.675 ' HB ' ' HB3' ' A' 1651 ' ' ASP . 12.2 t -43.16 124.81 3.43 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 113.436 -1.711 . . . . 1.0 114.522 -168.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.416 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -164.84 171.08 5.8 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 114.373 -1.285 . . . . 1.0 108.236 174.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.518 ' O ' ' HB1' ' A' 1724 ' ' ALA . 15.0 Cg_exo -69.77 106.5 1.68 Allowed 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.02 1.813 . . . . 1.0 111.799 176.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 134.55 -29.15 3.04 Favored Glycine 0 N--CA 1.449 -0.464 0 N-CA-C 111.514 -0.634 . . . . 1.0 111.514 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 7.9 mp0 -54.21 -48.87 70.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 122.776 0.43 . . . . 1.0 111.618 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . 0.478 ' HA ' ' HG2' ' A' 1662 ' ' GLU . 6.8 tp -66.21 -40.96 90.73 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 120.829 -0.348 . . . . 1.0 110.475 -176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -57.03 -31.53 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.184 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.731 ' HA ' HG11 ' A' 1731 ' ' VAL . 79.6 m -73.4 -48.31 34.91 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.695 -0.684 . . . . 1.0 110.698 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.478 ' HG2' ' HA ' ' A' 1659 ' ' LEU . 6.8 pt-20 -73.41 -37.05 66.06 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.816 -0.353 . . . . 1.0 111.345 -175.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 16.9 p -57.39 -44.91 84.89 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-O 121.054 0.454 . . . . 1.0 110.283 174.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' 1735 ' ' ALA . . . -68.34 -37.41 80.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.816 -0.629 . . . . 1.0 110.747 176.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1661 ' ' CYS . 15.0 mt -56.25 -43.61 77.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.116 177.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -64.59 -35.06 79.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.581 0.229 . . . . 1.0 111.362 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.37 -43.92 31.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.34 0.591 . . . . 1.0 110.064 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 49.4 tp -64.68 -33.94 77.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.267 178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' 1665 ' ' ILE . 11.5 t-20 -60.97 -41.09 95.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.564 -0.743 . . . . 1.0 109.898 177.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 39.6 t -64.55 -45.17 88.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.147 -0.933 . . . . 1.0 110.554 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.576 ' HB3' ' OG1' ' A' 1742 ' ' THR . 73.3 m -67.72 -33.78 75.56 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-O 121.124 0.487 . . . . 1.0 110.363 -177.452 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.456 HD11 ' CG ' ' A' 1770 ' ' GLU . 50.5 tp -59.58 -46.88 87.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.569 -0.741 . . . . 1.0 110.335 175.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' 1673 ' ' ARG . 41.2 ttt-85 -70.37 -41.64 72.81 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.991 -0.55 . . . . 1.0 111.074 -178.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.59 -41.03 84.84 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.64 -0.255 . . . . 1.0 110.949 178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.729 ' HG ' HG23 ' A' 1742 ' ' THR . 32.3 mt -64.32 -42.17 96.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.279 177.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . 0.541 ' HB2' ' HD2' ' A' 1766 ' ' LYS . 34.6 t70 -64.06 -44.68 91.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.103 0.477 . . . . 1.0 110.63 -179.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -69.09 -27.81 65.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.719 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.477 ' HA ' HD21 ' A' 1687 ' ' LEU . . . -62.1 -42.83 99.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.361 174.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 27.1 t -62.52 -40.74 97.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 1.0 110.351 177.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 62.2 tp -65.5 -44.72 86.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.565 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -68.8 -26.8 65.38 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.56 -0.291 . . . . 1.0 110.873 177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -71.36 -48.27 51.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.722 0.296 . . . . 1.0 110.864 177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 12.8 p -68.8 -22.13 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 121.248 0.546 . . . . 1.0 110.316 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 9.9 t -91.77 -6.7 51.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.37 177.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 57.98 50.42 10.28 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.305 0.574 . . . . 1.0 111.456 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -137.36 27.3 2.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 1.0 111.279 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.477 HD21 ' HA ' ' A' 1678 ' ' ALA . 9.5 mt -80.6 157.05 26.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.423 0.63 . . . . 1.0 112.696 -177.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -107.6 144.73 29.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 114.917 -1.038 . . . . 1.0 109.166 170.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 29.0 Cg_exo -62.34 175.22 2.18 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.808 2.339 . . . . 1.0 113.137 -176.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.819 HH11 ' HB2' ' A' 1691 ' ' GLU . 3.2 tmt_? -61.83 147.67 45.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.509 -178.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.819 ' HB2' HH11 ' A' 1690 ' ' ARG . 23.3 mm-40 -38.64 -38.53 0.41 Allowed 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.956 0.785 . . . . 1.0 112.344 178.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 172.47 77.9 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.411 -0.9 . . . . 1.0 112.488 176.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.502 HG12 ' HB3' ' A' 1697 ' ' ALA . 7.8 tt -161.54 161.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.947 0.373 . . . . 1.0 110.273 177.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.48 ' O ' ' HG ' ' A' 1698 ' ' LEU . 15.3 p -92.77 -172.87 3.16 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 120.535 0.207 . . . . 1.0 111.373 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.55 ' HG2' ' HA3' ' A' 1822 ' ' GLY . 25.8 tp60 -74.75 -53.52 9.04 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.691 0.626 . . . . 1.0 112.691 -171.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.43 -27.08 63.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.27 0.557 . . . . 1.0 109.89 -177.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.502 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -68.51 -25.07 64.76 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.739 178.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.544 HD11 ' HD3' ' A' 1751 ' ' LYS . 63.7 mt -60.01 -49.37 77.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 174.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -56.95 -45.59 82.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.847 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -59.69 -51.94 67.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.245 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . 0.588 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.8 tt0 -61.65 -52.09 65.76 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.943 0.401 . . . . 1.0 111.047 -177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.567 ' O ' HG23 ' A' 1706 ' ' VAL . 80.8 mtp -66.61 -48.73 68.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.833 -0.621 . . . . 1.0 111.43 -174.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.471 HD23 HG23 ' A' 1811 ' ' THR . 2.8 tm? -61.04 -40.62 94.31 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.246 -0.279 . . . . 1.0 110.246 -178.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' 1708 ' ' GLU . 96.0 m -62.27 -50.61 71.01 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 121.133 -0.227 . . . . 1.0 110.708 176.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.583 ' O ' HG13 ' A' 1709 ' ' ILE . . . -58.11 -47.82 82.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.247 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.675 HG12 HG13 ' A' 1807 ' ' VAL . 94.8 t -55.58 -44.83 78.0 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.492 -177.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -65.23 -44.52 87.96 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 121.217 -0.193 . . . . 1.0 111.0 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' 1704 ' ' THR . 51.9 mm-40 -58.01 -40.66 81.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.034 0.445 . . . . 1.0 110.16 178.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.678 ' O ' HG13 ' A' 1713 ' ' ILE . 72.2 mt -64.57 -56.87 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.675 -0.693 . . . . 1.0 110.313 176.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.498 ' HA ' HD12 ' A' 1713 ' ' ILE . 47.4 t -49.86 -44.79 49.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 123.485 0.491 . . . . 1.0 111.319 -177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -63.67 -28.2 69.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.482 -178.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.831 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -92.63 -20.69 20.61 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 121.2 -0.2 . . . . 1.0 111.285 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.8 mt -61.52 -47.47 93.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-O 120.809 0.338 . . . . 1.0 110.908 -177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.436 ' N ' ' HD2' ' A' 1715 ' ' PRO . 39.0 mt-10 -59.04 -55.47 46.08 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.915 -0.584 . . . . 1.0 111.648 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' 1714 ' ' GLU . 27.8 Cg_endo -62.24 -30.09 81.13 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.358 2.039 . . . . 1.0 112.771 177.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 10.0 tt -61.8 -45.59 93.17 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 110.118 -0.327 . . . . 1.0 110.118 -179.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.79 -38.39 81.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 1.0 110.907 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' 1721 ' ' ARG . 17.0 t -73.56 -36.67 65.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.739 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.87 -45.13 68.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.092 0.472 . . . . 1.0 110.255 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.521 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -57.83 -38.4 75.54 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.929 179.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' 1718 ' ' SER . 9.0 ptm180 -79.17 -12.06 59.98 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 120.943 -0.303 . . . . 1.0 111.736 -176.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -148.02 -68.72 0.23 Allowed 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 113.183 0.808 . . . . 1.0 113.183 -176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -80.91 99.09 8.18 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.743 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -63.69 -48.23 77.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.741 -0.663 . . . . 1.0 111.671 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 2.6 m -55.94 -35.48 66.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.647 -0.706 . . . . 1.0 112.024 -173.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.625 ' O ' ' HG2' ' A' 1730 ' ' LYS . 18.5 mt-30 -87.28 -30.03 21.19 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 109.386 -0.598 . . . . 1.0 109.386 -174.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.431 HD22 ' CA ' ' A' 1783 ' ' GLY . 3.1 tp -53.86 -52.56 60.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.084 -0.962 . . . . 1.0 111.872 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.89 -33.02 59.69 Favored Glycine 0 CA--C 1.517 0.198 0 C-N-CA 120.893 -0.67 . . . . 1.0 112.06 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 68.1 m80 -70.27 -35.27 73.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.8 0.334 . . . . 1.0 110.706 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.625 ' HG2' ' O ' ' A' 1726 ' ' GLN . 51.8 mmtt -67.02 -52.23 44.96 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.235 0.54 . . . . 1.0 109.835 178.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.738 HG13 HD22 ' A' 1776 ' ' LEU . 61.7 t -57.06 -46.31 84.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-N 115.093 -0.958 . . . . 1.0 111.421 -176.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 22.6 t -56.67 -41.59 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.55 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -68.99 -46.85 67.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.995 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.831 ' HB2' HD11 ' A' 1712 ' ' LEU . 52.6 ttm -60.64 -46.67 89.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.886 0.374 . . . . 1.0 111.235 -175.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . 0.436 ' HB2' ' HB1' ' A' 1664 ' ' ALA . . . -69.42 -27.6 65.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.621 0.724 . . . . 1.0 110.044 -177.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -65.22 -37.58 87.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.826 -1.079 . . . . 1.0 111.483 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -81.58 -25.48 35.75 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 111.832 0.308 . . . . 1.0 111.832 -177.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.615 ' CE1' HD13 ' A' 1709 ' ' ILE . 15.9 m-85 -71.11 -23.78 62.16 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.726 0.298 . . . . 1.0 111.468 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.482 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.7 tt0 -60.94 -58.64 17.82 Favored Pre-proline 0 CA--C 1.541 0.601 0 CA-C-N 116.137 -0.483 . . . . 1.0 111.089 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.482 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.3 Cg_endo -60.74 -38.35 71.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 C-N-CA 121.667 1.578 . . . . 1.0 112.245 175.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.7 mt -56.0 -48.04 76.64 Favored 'General case' 0 CA--C 1.516 -0.363 0 O-C-N 123.154 0.284 . . . . 1.0 111.198 179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.729 HG23 ' HG ' ' A' 1675 ' ' LEU . 51.9 m -56.29 -56.11 25.12 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.857 177.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.655 HD13 ' HG3' ' A' 1691 ' ' GLU . 36.8 mt -60.56 -40.16 90.61 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.944 0.402 . . . . 1.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.588 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -65.13 -42.06 94.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.782 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.76 -42.62 90.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.105 179.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 21.1 t -64.68 -36.3 77.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.565 -0.531 . . . . 1.0 109.565 177.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.584 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -62.71 -48.81 78.48 Favored Glycine 0 N--CA 1.449 -0.447 0 CA-C-N 115.796 -0.638 . . . . 1.0 111.774 174.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.688 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.93 -37.61 74.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.783 0.325 . . . . 1.0 110.904 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.678 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -62.18 -37.9 87.03 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.365 177.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 46.7 t -81.23 -40.36 23.93 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.333 -176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' 1747 ' ' GLY . 25.4 mtpp -81.45 -49.75 10.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 1.0 111.382 -174.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.422 ' HB ' ' O ' ' A' 1748 ' ' ALA . 97.4 m -72.66 131.53 42.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.846 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.57 -11.19 18.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.484 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 42.2 t -71.81 103.39 3.11 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.112 175.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.528 ' CE1' ' HG3' ' A' 1759 ' ' MET . 64.0 t60 -51.2 -52.39 59.28 Favored Pre-proline 0 CA--C 1.538 0.505 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.61 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' 1755 ' ' HIS . 38.3 Cg_endo -65.58 -6.12 13.07 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.305 2.004 . . . . 1.0 113.599 -175.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.935 HE21 ' HA ' ' A' 1757 ' ' GLN . 0.0 OUTLIER -113.89 -50.38 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.799 0.333 . . . . 1.0 110.47 177.711 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.678 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 5.4 tt0 -54.37 -57.49 11.07 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.541 -0.754 . . . . 1.0 110.807 179.212 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . 0.528 ' HG3' ' CE1' ' A' 1755 ' ' HIS . 21.6 mmt -70.75 -30.18 66.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.662 -0.699 . . . . 1.0 111.15 -177.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -68.77 -54.29 16.84 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.409 -175.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.78 -30.13 66.52 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.3 -0.56 . . . . 1.0 109.789 -176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.491 HD22 ' HB2' ' A' 1749 ' ' ALA . 66.2 tp -60.83 -52.29 65.68 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.214 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.9 t70 -68.64 -41.94 78.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.824 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -66.7 -32.87 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.957 -177.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 87.6 m -64.63 -39.6 93.98 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.289 0.566 . . . . 1.0 109.51 174.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.541 ' HD2' ' HB2' ' A' 1676 ' ' ASP . 31.7 ttpt -69.86 -39.06 76.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.993 177.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 72.1 m -58.45 -44.78 89.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.103 0.477 . . . . 1.0 110.587 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.552 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 41.0 tp -64.56 -33.86 76.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.045 -0.525 . . . . 1.0 109.854 177.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.91 82.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.829 176.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.456 ' CG ' HD11 ' A' 1672 ' ' LEU . 38.5 mt-10 -61.64 -40.74 95.99 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.118 0.485 . . . . 1.0 109.855 175.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 32.4 t -64.59 -47.15 79.7 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.419 177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.484 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -64.87 -34.54 78.63 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 116.436 -0.347 . . . . 1.0 110.894 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.507 ' O ' ' HD1' ' A' 1777 ' ' TYR . 17.9 tp -63.7 -49.8 71.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -59.04 -39.11 80.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.008 175.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.649 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -59.44 -54.42 46.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.979 177.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.738 HD22 HG13 ' A' 1731 ' ' VAL . 55.0 mt -62.06 -33.28 74.1 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.708 0.29 . . . . 1.0 110.658 179.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.507 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.0 m-85 -58.98 -54.02 51.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.903 175.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.1 p -69.21 -37.13 77.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.54 -178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -67.34 -24.9 65.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.922 0.391 . . . . 1.0 110.583 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' 1658 ' ' GLN . 6.9 ttpm? -70.29 -45.44 66.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.672 178.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -75.2 -44.5 46.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.823 -176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.699 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.24 -17.21 46.84 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.065 0.394 . . . . 1.0 112.065 -176.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . 0.431 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.51 98.01 0.02 OUTLIER Glycine 0 C--N 1.333 0.361 0 O-C-N 124.137 0.898 . . . . 1.0 114.925 -167.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.743 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.98 20.73 67.09 Favored Glycine 0 N--CA 1.448 -0.5 0 N-CA-C 111.753 -0.539 . . . . 1.0 111.753 177.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.688 ' ND2' ' HB3' ' A' 1653 ' ' PHE . 25.4 t30 -130.32 87.14 51.61 Favored Pre-proline 0 C--N 1.318 -0.795 0 CA-C-N 114.98 -0.61 . . . . 1.0 110.076 -174.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -71.95 -9.92 25.39 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.543 2.162 . . . . 1.0 111.694 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.496 ' H ' ' HD2' ' A' 1787 ' ' LYS . 0.1 OUTLIER -69.08 -40.49 78.42 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.813 -0.63 . . . . 1.0 109.506 178.159 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.512 ' HB3' ' ND2' ' A' 1785 ' ' ASN . 26.6 tp60 -109.81 84.95 2.01 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 108.815 -0.809 . . . . 1.0 108.815 172.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.642 ' HA ' ' HB ' ' A' 1792 ' ' THR . . . -144.29 -128.63 0.08 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.927 -1.033 . . . . 1.0 109.944 -174.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.94 -95.8 0.06 Allowed 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 122.751 0.42 . . . . 1.0 111.295 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -70.59 -25.64 63.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.027 0.441 . . . . 1.0 109.976 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.699 HG22 ' HB2' ' A' 1782 ' ' ALA . 86.4 m -66.33 -38.63 88.11 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.655 174.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.575 ' HG3' ' HB1' ' A' 1789 ' ' ALA . 97.5 mt-30 -70.71 -39.02 73.67 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.49 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -59.85 -45.42 92.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.393 -0.367 . . . . 1.0 110.725 177.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -72.79 -31.78 65.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.033 0.444 . . . . 1.0 110.852 179.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' 1720 ' ' ALA . 63.3 tp -60.55 -32.86 71.9 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.488 172.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.579 ' HA ' HG12 ' A' 1800 ' ' VAL . 44.2 mt-10 -78.64 -27.55 45.37 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.545 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -64.94 -44.52 89.16 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 173.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -64.31 -47.48 79.26 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.349 -0.841 . . . . 1.0 111.889 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 7.4 p -59.4 -42.17 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.651 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -70.77 -41.14 72.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.869 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 15.4 tpt -61.11 -46.65 89.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.396 -0.366 . . . . 1.0 110.707 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.762 ' HB3' HD13 ' A' 1713 ' ' ILE . 78.7 mtp -59.28 -49.3 78.37 Favored 'General case' 0 CA--C 1.512 -0.503 0 N-CA-C 109.876 -0.416 . . . . 1.0 109.876 175.052 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 65.7 m -53.57 -43.02 68.16 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.463 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -68.04 -37.14 81.01 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.362 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.462 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -75.79 -26.3 57.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.569 -0.742 . . . . 1.0 110.474 -178.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.675 HG13 HG12 ' A' 1706 ' ' VAL . 39.8 t -56.41 -53.33 41.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.452 -0.794 . . . . 1.0 110.915 175.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -66.12 -31.51 72.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.047 0.451 . . . . 1.0 110.161 176.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.7 t0 -62.29 -57.82 9.98 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.501 -0.772 . . . . 1.0 110.796 -177.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1814 ' ' LEU . 19.5 tp -64.29 -42.31 96.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.259 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.471 HG23 HD23 ' A' 1703 ' ' LEU . 25.0 m -54.54 -39.05 67.29 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.932 -0.576 . . . . 1.0 111.546 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.437 ' O ' ' HG3' ' A' 1816 ' ' GLU . 66.0 m -57.57 -56.63 19.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.516 0.198 . . . . 1.0 110.875 177.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.57 HG23 ' NE2' ' A' 1757 ' ' GLN . 26.8 m -59.91 -39.34 85.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.406 . . . . 1.0 111.102 -179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1810 ' ' LEU . 95.4 mt -65.43 -42.38 92.53 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.65 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.402 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.46 -31.43 65.43 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.466 -178.033 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' 1812 ' ' THR . 40.6 mt-10 -72.77 -39.09 67.07 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 108.838 -0.801 . . . . 1.0 108.838 175.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.92 -15.31 3.23 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.475 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.92 -50.5 60.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.048 0.451 . . . . 1.0 110.13 174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.2 m -105.92 -29.59 9.88 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.765 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -77.48 -12.45 59.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.742 0.645 . . . . 1.0 112.742 -172.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -110.89 -59.12 2.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.863 0.363 . . . . 1.0 110.892 179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . 0.55 ' HA3' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.664 -1.075 . . . . 1.0 111.643 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' 1659 ' ' LEU . . . . . . . . 0 N--CA 1.484 1.877 0 N-CA-C 112.594 -0.202 . . . . 1.0 112.594 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 7.1 tp -161.58 129.87 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.878 0.37 . . . . 1.0 110.358 178.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -98.63 107.96 45.63 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-O 121.444 0.64 . . . . 1.0 110.335 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.614 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 95.0 Cg_endo -86.61 -2.25 8.33 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.54 2.16 . . . . 1.0 112.87 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.425 ' CG ' ' HA ' ' A' 1781 ' ' GLU . 83.0 m-85 -137.87 25.49 2.79 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.338 0.496 . . . . 1.0 112.338 -176.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.49 ' O ' ' HB2' ' A' 1655 ' ' ALA . 60.9 m 61.34 80.49 0.22 Allowed 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 114.076 1.139 . . . . 1.0 114.076 166.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 166.69 164.92 0.11 Allowed Pre-proline 0 N--CA 1.475 0.791 0 C-N-CA 123.64 0.776 . . . . 1.0 110.501 172.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.403 ' HD2' ' HB3' ' A' 1724 ' ' ALA . 14.3 Cg_exo -73.5 -0.0 8.68 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.1 2.534 . . . . 1.0 113.434 175.026 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . 0.55 ' HA3' HD23 ' A' 1727 ' ' LEU . . . -89.14 -40.12 6.23 Favored Glycine 0 C--N 1.313 -0.726 0 C-N-CA 120.816 -0.707 . . . . 1.0 112.22 -175.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.614 ' HB3' ' HD2' ' A' 1652 ' ' PRO . 22.9 mp0 -52.66 -37.42 58.64 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 122.88 0.472 . . . . 1.0 111.737 -178.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . 0.417 ' CD1' ' HA2' ' A' 1649 ' ' GLY . 54.8 tp -58.36 -54.46 46.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.5 -0.318 . . . . 1.0 111.039 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -64.59 -35.6 81.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.012 0.434 . . . . 1.0 110.71 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.524 ' HA ' HG11 ' A' 1731 ' ' VAL . 83.8 m -69.57 -45.57 68.39 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.738 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -66.42 -39.79 89.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.103 0.478 . . . . 1.0 110.149 -177.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 14.7 p -68.24 -44.23 76.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.746 -0.661 . . . . 1.0 111.15 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -67.27 -35.88 80.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.277 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.543 HG23 HD11 ' A' 1773 ' ' LEU . 39.1 mt -57.88 -36.53 56.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.662 -0.244 . . . . 1.0 110.953 177.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.34 84.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.782 0.325 . . . . 1.0 110.888 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -75.45 -41.63 55.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.414 0.626 . . . . 1.0 110.272 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.746 HD12 ' SG ' ' A' 1671 ' ' CYS . 48.2 tp -66.14 -31.48 72.35 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.126 177.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.618 ' O ' ' HG2' ' A' 1673 ' ' ARG . 6.2 t-20 -64.46 -40.68 96.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.772 -0.649 . . . . 1.0 109.334 176.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 29.7 t -66.41 -36.45 82.86 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.113 -0.948 . . . . 1.0 111.316 -177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.746 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.4 p -75.73 -29.16 58.8 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.296 0.57 . . . . 1.0 109.549 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.454 HD12 ' HG3' ' A' 1766 ' ' LYS . 43.8 tp -67.83 -36.34 80.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.262 177.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' 1669 ' ' ASN . 27.3 mmt180 -65.52 -46.79 78.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.457 178.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -67.94 -40.36 83.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 1.0 111.097 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.728 ' HG ' HG23 ' A' 1742 ' ' THR . 20.0 mt -59.96 -43.75 94.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.125 0.488 . . . . 1.0 110.662 176.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 25.4 t70 -62.67 -40.36 96.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.643 -0.708 . . . . 1.0 110.179 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -67.27 -38.23 84.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.33 -0.85 . . . . 1.0 110.818 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -62.51 -46.5 88.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.967 177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 28.8 t -56.32 -48.9 75.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.522 178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.85 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.967 179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -71.51 -38.03 71.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.513 -0.312 . . . . 1.0 111.079 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.79 66.51 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.923 -179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.7 p -65.24 -19.44 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-O 121.089 0.471 . . . . 1.0 110.968 -178.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.468 ' O ' ' HG3' ' A' 1686 ' ' GLN . 1.1 t -113.38 19.02 17.33 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.237 179.253 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 10.4 pt20 41.88 47.06 3.61 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.302 1.041 . . . . 1.0 113.243 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' 1684 ' ' SER . 53.4 mt-30 -114.8 4.19 14.86 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.519 176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' 1687 ' ' LEU . 3.3 mt -64.78 147.1 53.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.381 0.61 . . . . 1.0 112.256 -175.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -107.04 163.76 16.26 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.084 -0.962 . . . . 1.0 109.053 173.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 17.7 Cg_endo -58.42 149.55 73.8 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.449 2.099 . . . . 1.0 111.896 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.615 ' HG3' ' H ' ' A' 1692 ' ' GLY . 2.8 ptm180 -77.1 -162.77 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.867 0.365 . . . . 1.0 111.26 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.591 ' HG3' HD13 ' A' 1743 ' ' LEU . 20.1 mm-40 -51.84 -31.12 26.33 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 115.758 -0.655 . . . . 1.0 112.038 178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.615 ' H ' ' HG3' ' A' 1690 ' ' ARG . . . 117.05 98.43 2.02 Favored Glycine 0 C--N 1.332 0.316 0 C-N-CA 120.728 -0.748 . . . . 1.0 112.577 -179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.411 HG13 ' HB3' ' A' 1697 ' ' ALA . 10.3 tp -158.48 161.02 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 -179.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 6.1 m -72.31 161.77 30.39 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 120.935 0.397 . . . . 1.0 111.206 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.7 tp60 -69.51 -44.15 71.66 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.287 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.3 pm0 -71.7 -33.74 69.04 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 177.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.411 ' HB3' HG13 ' A' 1693 ' ' ILE . . . -63.1 -36.78 84.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.635 . . . . 1.0 109.799 176.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.54 HD11 ' HD3' ' A' 1751 ' ' LYS . 19.5 mt -56.54 -45.5 81.15 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.946 172.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 18.7 m170 -60.78 -48.22 82.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.993 -177.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 17.6 m -72.83 -42.45 63.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.663 -0.699 . . . . 1.0 111.624 -177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -58.44 -46.94 85.53 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.989 0.423 . . . . 1.0 110.433 -178.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.58 ' O ' HG23 ' A' 1706 ' ' VAL . 81.3 mmm -62.14 -55.22 31.01 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.169 177.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.696 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -53.59 -51.2 63.77 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 115.815 -0.63 . . . . 1.0 111.22 -177.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 74.2 m -56.53 -47.26 79.76 Favored 'General case' 0 C--O 1.236 0.36 0 N-CA-C 111.743 0.275 . . . . 1.0 111.743 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.693 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -66.87 -43.26 84.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.63 -0.259 . . . . 1.0 111.253 -177.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.849 HG12 HG13 ' A' 1807 ' ' VAL . 98.9 t -64.4 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.899 0.38 . . . . 1.0 110.473 -175.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -61.29 -46.21 91.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.382 176.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -63.67 -31.52 72.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.954 -0.566 . . . . 1.0 111.436 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.623 HG13 ' O ' ' A' 1705 ' ' ALA . 90.7 mt -63.57 -54.97 25.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.251 -0.431 . . . . 1.0 109.903 174.489 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.759 ' HB2' HG11 ' A' 1807 ' ' VAL . 37.6 t -55.97 -37.79 69.53 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.323 0.582 . . . . 1.0 110.192 178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -58.62 -38.02 77.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.271 -0.877 . . . . 1.0 111.144 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.722 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -91.86 -20.27 21.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 121.128 -0.229 . . . . 1.0 111.456 -178.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.733 HD13 ' HB3' ' A' 1803 ' ' MET . 58.7 mt -61.14 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 120.715 0.293 . . . . 1.0 111.288 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.412 ' N ' ' HD2' ' A' 1715 ' ' PRO . 6.4 mm-40 -60.03 -55.18 48.06 Favored Pre-proline 0 CA--C 1.538 0.506 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.865 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.412 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.7 Cg_endo -61.47 -34.23 86.43 Favored 'Trans proline' 0 C--N 1.357 0.977 0 C-N-CA 122.189 1.926 . . . . 1.0 112.681 176.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.825 HD13 ' HE3' ' A' 1734 ' ' MET . 9.8 tt -61.96 -43.89 97.89 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 110.323 -0.251 . . . . 1.0 110.323 -179.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . 0.488 ' HB2' HG21 ' A' 1800 ' ' VAL . . . -54.77 -45.5 74.26 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 123.255 0.347 . . . . 1.0 111.225 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' 1721 ' ' ARG . 10.7 t -73.09 -39.43 65.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.942 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -63.59 -55.48 23.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.638 0.256 . . . . 1.0 110.542 178.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.516 ' HB2' HD13 ' A' 1727 ' ' LEU . . . -53.36 -44.11 68.28 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 -174.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' 1718 ' ' SER . 18.9 ptt180 -69.41 -13.22 62.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.958 0.725 . . . . 1.0 112.958 -172.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . 0.429 ' O ' ' HA2' ' A' 1784 ' ' GLY . . . -140.94 -49.02 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.025 0.75 . . . . 1.0 113.025 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.446 ' OE1' ' HG2' ' A' 1726 ' ' GLN . 0.4 OUTLIER -115.63 115.94 27.26 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.525 0.679 . . . . 1.0 111.229 -172.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.563 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -83.06 -24.48 32.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 1.0 112.563 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 1.5 m -70.59 -35.37 72.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.098 0.475 . . . . 1.0 110.577 -175.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.915 HE21 ' HA ' ' A' 1726 ' ' GLN . 0.0 OUTLIER -78.7 -38.71 38.53 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.345 -0.983 . . . . 1.0 108.345 178.429 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.55 HD23 ' HA3' ' A' 1657 ' ' GLY . 11.6 tp -52.25 -43.32 64.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 113.985 -1.461 . . . . 1.0 111.596 176.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.72 -32.8 40.81 Favored Glycine 0 CA--C 1.519 0.323 0 CA-C-N 115.843 -0.617 . . . . 1.0 112.768 177.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -79.14 -38.41 36.1 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.737 -0.272 . . . . 1.0 110.603 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' 1726 ' ' GLN . 50.7 mmtt -61.44 -53.57 54.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.148 0.499 . . . . 1.0 110.237 -178.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.632 HG13 HD22 ' A' 1776 ' ' LEU . 99.2 t -58.63 -44.65 90.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.208 -0.905 . . . . 1.0 111.134 -177.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 32.3 t -57.62 -47.01 83.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.49 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.627 ' O ' ' HG3' ' A' 1736 ' ' GLN . 49.1 mt-30 -67.15 -41.56 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 111.267 -179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.825 ' HE3' HD13 ' A' 1716 ' ' LEU . 54.5 ttm -64.7 -40.54 95.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.75 0.31 . . . . 1.0 110.95 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -70.72 -39.15 73.54 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.931 -174.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' 1733 ' ' GLN . 1.6 pp0? -68.48 -39.51 81.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.181 -176.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -58.25 -35.68 72.09 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 111.911 0.338 . . . . 1.0 111.911 177.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -71.57 -23.14 61.69 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.499 0.555 . . . . 1.0 112.499 -175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.47 ' O ' ' HG ' ' A' 1743 ' ' LEU . 42.6 tt0 -62.67 -58.44 16.85 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.611 -0.436 . . . . 1.0 111.201 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.547 ' HD2' ' O ' ' A' 1736 ' ' GLN . 10.0 Cg_endo -58.96 -32.82 98.21 Favored 'Trans proline' 0 C--N 1.36 1.152 0 C-N-CA 121.661 1.574 . . . . 1.0 112.485 175.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.693 HD21 ' HB3' ' A' 1705 ' ' ALA . 23.0 mt -61.8 -45.06 95.47 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 120.718 0.294 . . . . 1.0 110.669 178.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.728 HG23 ' HG ' ' A' 1675 ' ' LEU . 67.7 m -57.02 -52.8 63.82 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.081 174.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.591 HD13 ' HG3' ' A' 1691 ' ' GLU . 35.5 mt -57.73 -44.59 86.1 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.279 0.561 . . . . 1.0 110.952 178.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.585 ' HA ' HH11 ' A' 1690 ' ' ARG . . . -69.45 -43.79 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.689 -0.687 . . . . 1.0 111.447 -176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.454 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -63.3 -47.11 83.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.766 0.317 . . . . 1.0 111.284 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1742 ' ' THR . 45.8 t -62.22 -33.12 57.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.317 0.58 . . . . 1.0 109.909 178.274 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -67.72 -43.62 83.92 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.646 -0.706 . . . . 1.0 112.155 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.571 ' O ' ' HB ' ' A' 1752 ' ' THR . . . -56.85 -44.66 82.35 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-O 120.399 0.143 . . . . 1.0 110.868 177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.879 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.98 -41.8 79.06 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.319 0.581 . . . . 1.0 111.298 177.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 20.1 t -80.05 -35.56 36.96 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.838 -0.619 . . . . 1.0 111.55 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.54 ' HD3' HD11 ' A' 1698 ' ' LEU . 27.6 mtpp -86.61 -45.48 11.0 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.072 0.463 . . . . 1.0 111.685 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.6 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 6.8 m -72.64 122.15 20.94 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.673 -172.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 83.9 mt -78.53 -14.5 59.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.459 -0.791 . . . . 1.0 110.468 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.5 m -80.96 92.37 6.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.034 -0.728 . . . . 1.0 109.034 178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.674 ' HB2' ' HD3' ' A' 1756 ' ' PRO . 55.6 m80 -58.26 -54.35 56.7 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.921 -0.581 . . . . 1.0 112.099 -171.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.674 ' HD3' ' HB2' ' A' 1755 ' ' HIS . 52.7 Cg_exo -55.85 -23.31 41.66 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.322 2.015 . . . . 1.0 113.329 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -83.54 -58.48 2.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.549 0.214 . . . . 1.0 111.115 176.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.879 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.1 pp0? -63.78 -41.1 98.01 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.625 -0.261 . . . . 1.0 111.335 -176.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 82.9 mmm -65.98 -32.02 73.26 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 120.922 0.392 . . . . 1.0 110.636 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -73.7 -53.56 10.11 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.845 -177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.558 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -69.14 -28.01 66.07 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.154 -0.618 . . . . 1.0 109.847 -177.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' 1749 ' ' ALA . 52.4 tp -58.87 -56.16 25.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.516 175.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.72 -35.2 70.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.673 -177.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -65.99 -31.56 72.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.696 -0.229 . . . . 1.0 111.597 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 88.2 m -63.75 -41.05 98.08 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.546 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 40.8 tttm -65.19 -42.15 93.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.024 -0.989 . . . . 1.0 110.357 174.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 22.1 m -55.42 -48.3 74.63 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.403 174.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.537 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 42.2 tp -65.93 -34.47 78.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.31 178.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.83 96.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.487 -0.324 . . . . 1.0 110.665 176.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -67.12 -33.87 76.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.698 0.285 . . . . 1.0 110.312 176.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 20.3 m -67.2 -41.14 86.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.048 176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . 0.409 ' O ' ' HG ' ' A' 1776 ' ' LEU . . . -68.1 -35.86 78.83 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.355 176.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.543 HD11 HG23 ' A' 1665 ' ' ILE . 15.8 tp -65.61 -45.14 84.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -57.93 -38.8 76.6 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.312 0.577 . . . . 1.0 109.986 173.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.596 HD11 HD22 ' A' 1716 ' ' LEU . 3.5 tm? -65.3 -54.42 29.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.593 -0.731 . . . . 1.0 110.162 177.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.632 HD22 HG13 ' A' 1731 ' ' VAL . 54.1 mt -61.29 -33.82 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.228 -0.189 . . . . 1.0 111.231 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.489 ' HD1' ' O ' ' A' 1773 ' ' LEU . 4.1 m-85 -60.38 -50.12 74.87 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.662 0.267 . . . . 1.0 111.119 176.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 14.8 p -73.51 -38.71 65.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.412 -0.358 . . . . 1.0 111.134 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.26 -24.37 66.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.958 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.581 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.4 ttpt -68.67 -46.16 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.998 0.428 . . . . 1.0 110.202 176.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.626 ' HB2' HG21 ' A' 1792 ' ' THR . 85.1 mt-10 -69.35 -51.73 34.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 1.0 111.459 -178.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.617 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.09 -14.1 56.29 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.481 0.548 . . . . 1.0 112.481 -173.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.31 96.93 0.01 OUTLIER Glycine 0 C--N 1.331 0.272 0 O-C-N 123.973 0.796 . . . . 1.0 114.019 -173.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.563 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 72.2 25.7 73.91 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 112.005 -0.438 . . . . 1.0 112.005 179.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.87 HD21 ' HB2' ' A' 1788 ' ' GLN . 53.8 t-20 -142.77 100.31 5.54 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.713 0.292 . . . . 1.0 111.008 -174.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -93.89 -10.26 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.853 0 C-N-CA 122.374 2.05 . . . . 1.0 112.631 174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' 1788 ' ' GLN . 15.8 ptmt -91.28 -48.57 6.84 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 111.976 0.362 . . . . 1.0 111.976 -174.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.87 ' HB2' HD21 ' A' 1785 ' ' ASN . 53.7 mm-40 -88.58 2.19 53.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.193 0.521 . . . . 1.0 110.696 -179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.805 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -124.31 102.63 7.78 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.486 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -105.22 -65.54 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.24 179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . 0.405 ' HA ' ' OE1' ' A' 1794 ' ' GLU . 9.1 p80 -69.61 -20.65 63.62 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.456 0.646 . . . . 1.0 109.462 177.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.805 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 89.2 m -65.82 -38.72 89.68 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.225 -0.898 . . . . 1.0 110.296 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -60.39 -39.96 89.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.164 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . 0.405 ' OE1' ' HA ' ' A' 1791 ' ' HIS . 32.4 mt-10 -69.09 -42.17 76.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.541 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.11 -27.89 61.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.611 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 48.0 tp -63.8 -26.53 68.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.152 0.501 . . . . 1.0 109.809 176.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -77.31 -28.01 53.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.011 178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' 1802 ' ' MET . 38.5 mt-10 -72.46 -49.95 29.67 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.936 -0.575 . . . . 1.0 109.808 177.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' A' 1775 ' ' LEU . . . -59.71 -44.14 93.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.214 -176.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.488 HG21 ' HB2' ' A' 1717 ' ' ALA . 12.1 p -61.68 -35.91 70.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.883 0.373 . . . . 1.0 111.016 -178.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -77.93 -35.2 50.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.53 -0.304 . . . . 1.0 110.671 179.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.444 ' HG3' ' O ' ' A' 1798 ' ' GLU . 63.3 mtt -58.79 -35.67 73.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.812 177.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.733 ' HB3' HD13 ' A' 1713 ' ' ILE . 38.9 mtp -71.54 -52.23 19.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.673 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.409 HG22 ' O ' ' A' 1801 ' ' GLN . 10.2 t -57.57 -35.65 70.65 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 111.611 0.226 . . . . 1.0 111.611 -172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.61 -35.28 62.93 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 120.728 -0.389 . . . . 1.0 110.587 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.31 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.038 0.447 . . . . 1.0 110.189 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.849 HG13 HG12 ' A' 1706 ' ' VAL . 52.2 t -59.41 -52.39 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.064 173.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -61.87 -36.64 81.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.496 -0.774 . . . . 1.0 110.298 177.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 36.6 t70 -63.9 -54.91 27.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.51 -0.768 . . . . 1.0 110.979 -177.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.51 HD23 HG21 ' A' 1706 ' ' VAL . 25.9 tp -63.38 -45.52 90.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.647 -178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.696 HG23 HD23 ' A' 1703 ' ' LEU . 43.1 m -55.71 -39.07 70.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.881 -0.6 . . . . 1.0 111.348 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 99.3 m -58.92 -53.25 60.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.418 0.151 . . . . 1.0 110.809 177.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 8.0 m -58.36 -40.04 81.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.108 0.48 . . . . 1.0 110.571 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.439 HD23 HD22 ' A' 1761 ' ' LEU . 83.0 mt -65.82 -44.56 85.24 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.834 -0.621 . . . . 1.0 111.857 -179.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.88 -21.95 59.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.255 -0.43 . . . . 1.0 111.589 -177.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 7.5 mm-40 -81.21 -47.31 13.59 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.897 -1.149 . . . . 1.0 107.897 175.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.822 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -60.07 -15.6 24.5 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.0 111.768 178.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . 0.459 ' HA ' ' ND1' ' A' 1699 ' ' HIS . . . -54.09 -47.88 71.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.941 0.4 . . . . 1.0 110.167 174.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 20.0 m -104.22 -23.43 13.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.74 176.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.822 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -72.41 -44.94 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.989 -179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -103.04 117.77 35.31 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.646 -176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.187 0 CA-C-O 118.188 -1.34 . . . . 1.0 111.536 -179.065 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.876 -0.49 . . . . 1.0 111.876 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.797 ' H ' HD13 ' A' 1650 ' ' ILE . 0.2 OUTLIER -87.93 149.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 174.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 42.4 m-20 -122.19 93.55 48.48 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 120.69 0.281 . . . . 1.0 111.144 -176.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.606 ' HD2' ' HG2' ' A' 1781 ' ' GLU . 86.0 Cg_endo -89.26 108.97 0.45 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 123.038 2.492 . . . . 1.0 111.857 174.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 1.008 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 37.5 p90 -158.73 141.9 14.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.779 0.323 . . . . 1.0 111.269 -177.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.5 t -164.48 26.58 0.07 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 121.098 0.475 . . . . 1.0 111.189 -176.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.488 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.39 171.98 5.78 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.433 -0.349 . . . . 1.0 111.388 -173.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.462 ' HD2' ' HB1' ' A' 1655 ' ' ALA . 50.2 Cg_exo -59.51 159.82 22.42 Favored 'Trans proline' 0 C--N 1.353 0.776 0 C-N-CA 123.096 2.531 . . . . 1.0 112.699 174.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 84.14 -29.94 3.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.897 -0.668 . . . . 1.0 112.712 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 1.008 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.1 mp0 -57.39 -44.01 84.12 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 122.315 0.246 . . . . 1.0 111.508 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.87 -43.62 98.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.537 -0.301 . . . . 1.0 110.923 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.49 -36.19 73.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.353 0.597 . . . . 1.0 110.264 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.724 ' HA ' HG11 ' A' 1731 ' ' VAL . 56.7 m -76.38 -42.55 44.12 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.372 -0.831 . . . . 1.0 110.13 -179.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.13 -45.47 92.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.655 -0.702 . . . . 1.0 110.844 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.2 t -70.69 -30.37 66.92 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.015 0.436 . . . . 1.0 110.97 -178.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.1 -38.72 61.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 1.0 110.859 179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.42 HG23 HD11 ' A' 1773 ' ' LEU . 53.0 mt -56.93 -40.51 72.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.961 178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -61.75 -42.66 99.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 1.0 111.101 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . 0.4 ' O ' ' HB3' ' A' 1670 ' ' SER . . . -73.16 -39.15 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.381 0.61 . . . . 1.0 110.545 -178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.767 HD12 ' SG ' ' A' 1671 ' ' CYS . 50.6 tp -67.55 -32.88 73.95 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.471 -0.786 . . . . 1.0 110.579 179.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -66.48 -35.75 81.03 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.035 -0.728 . . . . 1.0 109.035 177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' 1667 ' ' ALA . 42.0 t -62.51 -45.29 93.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.145 -0.934 . . . . 1.0 110.704 178.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.767 ' SG ' HD12 ' A' 1668 ' ' LEU . 19.7 p -72.89 -27.72 62.06 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-O 121.166 0.508 . . . . 1.0 109.91 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.49 HD12 ' HG3' ' A' 1766 ' ' LYS . 50.7 tp -64.99 -42.11 94.8 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.657 -0.701 . . . . 1.0 109.73 175.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 43.5 mtm105 -70.94 -36.9 72.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.701 -0.681 . . . . 1.0 111.028 178.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -61.21 -51.06 70.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.704 0.288 . . . . 1.0 110.419 176.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.713 ' HG ' HG23 ' A' 1742 ' ' THR . 39.0 mt -58.54 -38.77 78.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.071 -0.513 . . . . 1.0 111.073 177.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 17.4 t70 -61.05 -48.65 80.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.695 -0.684 . . . . 1.0 111.065 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -71.27 -30.18 65.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.304 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.458 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -61.75 -47.15 86.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.496 174.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.532 ' HA ' HD21 ' A' 1762 ' ' LEU . 30.9 t -55.37 -48.48 74.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.6 176.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 58.2 tp -61.78 -36.46 81.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.541 -0.754 . . . . 1.0 111.299 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.8 -34.85 39.28 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.562 -0.29 . . . . 1.0 111.465 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -68.47 -39.56 81.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.944 0.402 . . . . 1.0 111.11 -179.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 7.9 p -67.74 -12.84 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.781 -0.645 . . . . 1.0 110.52 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.41 ' O ' ' HG3' ' A' 1686 ' ' GLN . 29.4 p -124.69 17.95 8.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.95 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 19.2 pt20 43.65 41.03 3.27 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.03 0.932 . . . . 1.0 112.959 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' 1684 ' ' SER . 48.9 mt-30 -106.94 19.3 20.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 1.0 111.207 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.39 169.22 13.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.123 0.487 . . . . 1.0 111.31 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -111.32 160.49 29.04 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.426 -0.806 . . . . 1.0 109.632 176.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.54 145.62 8.75 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.075 2.517 . . . . 1.0 113.286 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.424 ' HD2' ' HD2' ' A' 1751 ' ' LYS . 0.2 OUTLIER -59.42 175.26 0.34 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.594 -0.73 . . . . 1.0 112.785 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 7.3 mm-40 -69.99 35.41 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 115.202 -0.908 . . . . 1.0 113.085 -179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 83.18 -5.56 76.13 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 121.225 -0.512 . . . . 1.0 113.486 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 14.3 tt -85.71 145.65 7.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.71 0.29 . . . . 1.0 111.239 -176.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 20.5 m -76.29 167.72 21.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.576 -0.284 . . . . 1.0 111.463 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.637 ' HG2' ' HA2' ' A' 1822 ' ' GLY . 64.8 tp60 -64.36 -54.55 31.24 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.354 -0.385 . . . . 1.0 111.831 -175.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.29 -27.4 67.89 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.023 0.44 . . . . 1.0 110.237 -178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -71.85 -24.72 61.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.619 -0.718 . . . . 1.0 110.586 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' A' 1695 ' ' GLN . 64.0 mt -61.17 -47.85 84.29 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.903 -0.406 . . . . 1.0 109.903 174.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -51.24 -44.42 61.7 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.4 m -63.79 -55.23 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.446 . . . . 1.0 112.038 -177.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -60.47 -47.48 85.93 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.571 0.224 . . . . 1.0 110.896 -177.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.547 ' HA ' ' CD2' ' A' 1741 ' ' LEU . 90.1 mmm -61.18 -55.13 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.685 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.588 HD23 HG23 ' A' 1811 ' ' THR . 2.9 tm? -56.74 -48.78 77.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.116 -176.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 28.6 m -60.1 -46.17 90.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.57 0.224 . . . . 1.0 111.299 -177.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.75 ' HB3' HD21 ' A' 1741 ' ' LEU . . . -65.64 -48.95 70.46 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.602 -0.272 . . . . 1.0 111.061 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.767 HG12 HG13 ' A' 1807 ' ' VAL . 93.0 t -56.44 -45.04 81.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.392 -177.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -59.67 -46.3 89.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.741 -0.209 . . . . 1.0 111.453 177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -67.22 -29.55 69.23 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 121.0 -0.28 . . . . 1.0 111.429 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.679 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.63 -57.5 11.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.535 -0.543 . . . . 1.0 109.535 173.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.519 ' HB2' HG11 ' A' 1807 ' ' VAL . 22.8 t -55.61 -37.67 68.45 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.256 0.55 . . . . 1.0 110.142 179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.7 t-160 -55.26 -40.88 71.48 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.267 -0.879 . . . . 1.0 110.601 177.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.776 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.11 -16.24 26.62 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 111.617 0.228 . . . . 1.0 111.617 -178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.7 HD13 ' HB3' ' A' 1803 ' ' MET . 46.5 mt -61.46 -47.45 93.36 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-O 120.861 0.362 . . . . 1.0 110.942 -177.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.424 ' N ' ' HD2' ' A' 1715 ' ' PRO . 25.7 mm-40 -60.73 -54.29 55.98 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.969 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.1 Cg_endo -62.15 -26.62 78.01 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 122.117 1.878 . . . . 1.0 112.753 176.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.813 HD13 ' HE3' ' A' 1734 ' ' MET . 8.6 tt -68.97 -40.67 78.7 Favored 'General case' 0 C--O 1.223 -0.33 0 N-CA-C 109.661 -0.496 . . . . 1.0 109.661 177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -55.94 -48.17 76.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.885 0.374 . . . . 1.0 110.523 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.9 t -63.06 -42.43 99.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.942 -0.572 . . . . 1.0 110.977 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.75 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -65.27 -47.24 77.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.028 0.442 . . . . 1.0 111.117 -178.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.67 90.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.143 -0.48 . . . . 1.0 111.104 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.89 -13.88 59.55 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -173.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -159.68 -52.13 0.06 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 113.149 0.796 . . . . 1.0 113.149 -178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.75 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 20.3 mt-10 -75.96 83.23 2.85 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.185 0.517 . . . . 1.0 111.452 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.597 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -59.94 -44.46 94.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.708 -0.678 . . . . 1.0 112.786 -174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.0 m -72.94 -15.65 61.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.844 0.355 . . . . 1.0 111.581 -172.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -94.79 -32.24 13.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.598 0.713 . . . . 1.0 109.372 -176.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 22.6 tp -52.75 -44.84 66.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.128 -1.397 . . . . 1.0 112.531 -176.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.1 -40.58 44.26 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-N 116.043 -0.526 . . . . 1.0 113.13 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -72.33 -32.31 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.628 0.251 . . . . 1.0 111.272 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.1 mmtp -69.52 -50.15 47.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 1.0 109.804 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.724 HG11 ' HA ' ' A' 1661 ' ' CYS . 61.5 t -59.55 -46.65 92.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.231 -0.895 . . . . 1.0 111.151 -177.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 49.3 m -57.0 -42.7 80.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.154 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -74.04 -41.65 61.48 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.73 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.813 ' HE3' HD13 ' A' 1716 ' ' LEU . 49.7 ttm -60.06 -47.75 84.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 1.0 110.822 -177.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -67.18 -31.61 72.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.386 0.612 . . . . 1.0 110.019 -178.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.04 -35.52 77.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.872 -1.058 . . . . 1.0 111.808 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.421 ' O ' ' HG ' ' A' 1741 ' ' LEU . 47.1 m-85 -78.67 -26.54 45.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.719 0.295 . . . . 1.0 111.466 -177.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.545 ' CE1' HD13 ' A' 1709 ' ' ILE . 25.1 m-85 -72.78 -23.27 60.79 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.926 0.343 . . . . 1.0 111.926 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.43 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 37.1 tt0 -61.57 -58.49 18.06 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 120.8 -0.36 . . . . 1.0 110.973 177.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 11.7 Cg_endo -60.87 -38.9 66.22 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.787 1.658 . . . . 1.0 112.31 175.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.75 HD21 ' HB3' ' A' 1705 ' ' ALA . 21.8 mt -58.25 -45.3 88.06 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-O 120.727 0.298 . . . . 1.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.727 ' O ' HG23 ' A' 1746 ' ' VAL . 41.7 m -54.84 -56.07 23.48 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.299 174.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.455 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 63.6 mt -62.05 -39.05 91.05 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 120.912 0.387 . . . . 1.0 111.024 -178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.532 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -67.36 -38.97 85.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.777 -179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -69.37 -42.69 74.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.022 178.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' 1742 ' ' THR . 21.3 t -65.09 -31.25 53.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 176.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.688 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -65.49 -48.25 70.31 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.506 -0.77 . . . . 1.0 111.478 173.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.689 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.1 -40.35 76.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.641 0.258 . . . . 1.0 110.354 175.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.577 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -59.53 -38.65 81.57 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.197 -0.456 . . . . 1.0 112.1 178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 3.2 p -81.8 -38.27 25.82 Favored 'General case' 0 C--N 1.319 -0.735 0 C-N-CA 120.461 -0.496 . . . . 1.0 112.287 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.688 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -93.23 -23.35 18.56 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 113.448 0.907 . . . . 1.0 113.448 -177.525 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.415 HG23 ' HB1' ' A' 1821 ' ' ALA . 46.5 m -80.34 104.13 10.68 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.686 -0.406 . . . . 1.0 110.849 -178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 92.7 mt -115.29 3.56 14.26 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.69 -0.485 . . . . 1.0 109.69 176.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 22.7 m -58.84 -63.32 1.34 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.287 -0.87 . . . . 1.0 111.789 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.538 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 10.0 m80 -155.6 177.87 1.88 Allowed Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.26 -175.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.538 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 51.0 Cg_exo -56.86 -1.8 0.4 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 123.256 2.638 . . . . 1.0 114.587 -178.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -49.45 -38.84 31.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.069 0.461 . . . . 1.0 110.038 172.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.577 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 8.3 tt0 -50.05 -59.18 4.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.018 -0.992 . . . . 1.0 111.853 176.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 71.2 mtp -76.29 -31.5 58.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.109 -175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -63.07 -54.04 44.3 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.769 -0.372 . . . . 1.0 110.8 -178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.689 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.0 pp -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.294 -0.562 . . . . 1.0 109.944 -177.646 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.532 HD21 ' HA ' ' A' 1679 ' ' SER . 59.3 tp -62.4 -54.12 44.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.56 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -69.65 -34.95 74.73 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.549 -178.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -67.91 -33.66 75.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.669 -0.241 . . . . 1.0 111.477 178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 86.0 m -63.35 -39.75 95.4 Favored 'General case' 0 CA--C 1.522 -0.117 0 N-CA-C 109.101 -0.703 . . . . 1.0 109.101 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.507 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 78.1 tttt -68.05 -41.31 82.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.367 176.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 36.1 m -58.92 -42.91 90.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.091 0.472 . . . . 1.0 110.529 174.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.467 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 50.8 tp -65.98 -35.83 81.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.158 -0.473 . . . . 1.0 109.969 177.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.15 -39.6 93.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.468 175.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' 1766 ' ' LYS . 44.9 mt-10 -64.37 -40.72 96.39 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 1.0 110.249 174.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 24.7 m -65.32 -39.83 92.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.701 -0.681 . . . . 1.0 110.208 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.86 -37.77 79.3 Favored 'General case' 0 C--O 1.222 -0.37 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.581 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.42 HD11 HG23 ' A' 1665 ' ' ILE . 13.5 tp -65.19 -44.17 89.28 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 23.3 tp60 -56.7 -44.72 81.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.504 -0.771 . . . . 1.0 109.855 173.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.805 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -63.11 -54.86 31.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.388 -0.824 . . . . 1.0 110.441 179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.707 HD22 HG13 ' A' 1731 ' ' VAL . 44.8 mt -60.12 -33.36 72.02 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-O 120.463 0.173 . . . . 1.0 111.113 -178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.79 -53.55 52.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.588 0.232 . . . . 1.0 110.895 175.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 21.4 p -66.06 -33.14 75.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.752 0.311 . . . . 1.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -71.99 -24.69 61.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 178.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.525 ' O ' ' HG3' ' A' 1658 ' ' GLN . 37.1 ttpt -73.67 -46.67 45.13 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.685 -0.487 . . . . 1.0 109.685 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 56.4 mt-10 -65.66 -55.08 19.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.551 -0.749 . . . . 1.0 111.48 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.514 ' HB2' HG22 ' A' 1792 ' ' THR . . . -82.21 -16.57 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 1.0 112.272 -173.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.62 96.95 0.01 OUTLIER Glycine 0 C--N 1.331 0.299 0 O-C-N 124.049 0.843 . . . . 1.0 114.684 -169.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 67.81 15.47 66.84 Favored Glycine 0 N--CA 1.451 -0.367 0 N-CA-C 111.739 -0.544 . . . . 1.0 111.739 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.872 HD21 ' HB3' ' A' 1788 ' ' GLN . 25.2 t30 -132.06 76.76 72.83 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.143 -0.528 . . . . 1.0 110.407 -176.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.18 -4.33 14.22 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 122.682 2.255 . . . . 1.0 111.0 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 61.6 mttp -80.58 -61.19 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.36 -0.836 . . . . 1.0 111.206 -176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.872 ' HB3' HD21 ' A' 1785 ' ' ASN . 35.5 tt0 -85.02 -10.9 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.055 0.455 . . . . 1.0 110.769 -177.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.831 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.76 108.27 16.54 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.502 -0.317 . . . . 1.0 110.74 178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -114.6 -53.72 2.63 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.108 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 29.1 m170 -61.78 -33.95 75.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.372 0.606 . . . . 1.0 109.568 173.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.831 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 57.7 m -63.92 -33.57 76.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.996 -1.002 . . . . 1.0 110.853 -177.172 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.415 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 16.4 mm-40 -60.97 -36.5 79.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.841 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -74.03 -39.78 63.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.426 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -74.07 -28.67 61.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.19 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.95 -30.19 70.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.987 -0.551 . . . . 1.0 109.983 175.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -77.18 -27.17 53.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.178 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' 1802 ' ' MET . 41.4 mt-10 -75.86 -47.38 25.74 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.087 176.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -58.51 -42.53 87.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.79 -0.641 . . . . 1.0 111.891 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.577 HG23 HG22 ' A' 1713 ' ' ILE . 8.9 p -63.61 -37.78 80.53 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 CA-C-O 120.69 0.281 . . . . 1.0 110.712 179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -72.73 -33.64 66.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.681 -0.236 . . . . 1.0 110.686 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1798 ' ' GLU . 91.6 mtp -56.67 -49.14 75.96 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.336 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.7 ' HB3' HD13 ' A' 1713 ' ' ILE . 71.4 mtp -64.39 -50.87 65.96 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.518 177.024 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 51.6 m -48.51 -48.39 38.22 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 123.826 0.704 . . . . 1.0 112.03 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -69.85 -39.27 76.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.256 -0.429 . . . . 1.0 111.181 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -71.58 -27.93 63.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.278 -176.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.767 HG13 HG12 ' A' 1706 ' ' VAL . 24.5 t -56.83 -55.18 21.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.675 174.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -64.84 -31.87 73.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.23 0.538 . . . . 1.0 110.085 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -66.49 -50.03 64.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.262 -0.881 . . . . 1.0 110.712 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.44 HD23 HG21 ' A' 1706 ' ' VAL . 23.1 tp -65.71 -46.9 77.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.339 178.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.588 HG23 HD23 ' A' 1703 ' ' LEU . 20.1 m -51.67 -39.54 58.4 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.587 -0.733 . . . . 1.0 111.575 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -60.97 -53.79 52.88 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.461 -0.336 . . . . 1.0 110.871 177.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -56.46 -44.36 80.44 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.28 0.562 . . . . 1.0 110.716 179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.34 -42.32 98.49 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.374 -0.83 . . . . 1.0 111.868 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -80.81 -20.98 41.29 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 -176.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' 1812 ' ' THR . 37.5 mt-10 -75.52 -50.21 16.38 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 107.217 -1.401 . . . . 1.0 107.217 170.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.703 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -59.93 -15.37 21.31 Favored 'General case' 0 C--O 1.226 -0.155 0 CA-C-N 114.972 -1.013 . . . . 1.0 111.924 178.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -53.54 -44.46 69.24 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.853 0.359 . . . . 1.0 110.178 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.5 m -106.01 -30.86 9.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 173.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.703 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -68.1 -28.6 67.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.671 -0.695 . . . . 1.0 112.018 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' 1752 ' ' THR . . . -115.32 137.58 51.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.883 0.373 . . . . 1.0 110.862 -178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . 0.637 ' HA2' ' HG2' ' A' 1695 ' ' GLN . . . . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.566 -1.13 . . . . 1.0 111.512 178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 111.566 -0.614 . . . . 1.0 111.566 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 8.8 tt -148.63 116.69 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.276 0.56 . . . . 1.0 110.862 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' 1652 ' ' PRO . 7.1 p-10 -125.97 115.86 24.15 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 115.752 -0.658 . . . . 1.0 109.507 173.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.85 ' HG2' ' HB3' ' A' 1781 ' ' GLU . 5.2 Cg_exo -78.42 125.33 6.91 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 123.225 2.616 . . . . 1.0 112.893 -176.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.415 ' CD2' ' HG2' ' A' 1658 ' ' GLN . 30.0 t80 -169.86 108.92 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.411 175.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 9.0 t -174.51 32.76 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.876 0.37 . . . . 1.0 111.622 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' 1785 ' ' ASN . . . -147.31 164.99 20.26 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 122.063 -0.398 . . . . 1.0 111.442 -177.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -66.51 153.91 76.28 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.714 2.276 . . . . 1.0 111.486 170.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 81.79 -40.97 2.67 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 121.156 -0.545 . . . . 1.0 111.807 -176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.415 ' HG2' ' CD2' ' A' 1653 ' ' PHE . 0.2 OUTLIER -42.1 -47.04 4.47 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.457 1.103 . . . . 1.0 111.841 177.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 67.7 tp -77.16 -37.56 53.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.496 -176.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.88 -31.3 66.59 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.392 0.615 . . . . 1.0 110.212 177.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.794 ' HA ' HG11 ' A' 1731 ' ' VAL . 71.6 m -67.49 -41.56 84.32 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.261 -0.881 . . . . 1.0 110.574 179.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -66.49 -46.61 75.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.927 -178.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 11.0 t -66.56 -29.59 69.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.975 0.417 . . . . 1.0 110.901 -178.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.04 69.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.432 -0.349 . . . . 1.0 110.561 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.516 HG23 HD11 ' A' 1773 ' ' LEU . 55.7 mt -56.96 -40.16 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.571 176.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -63.11 -37.55 87.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 1.0 111.243 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -76.02 -40.5 53.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.493 0.663 . . . . 1.0 110.515 -178.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' 1773 ' ' LEU . 35.8 tp -68.52 -34.17 75.41 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.362 -0.836 . . . . 1.0 110.267 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -62.33 -40.74 97.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.531 0.681 . . . . 1.0 109.368 176.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 44.9 t -59.72 -43.65 94.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.846 -1.07 . . . . 1.0 110.538 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.589 ' HB3' ' OG1' ' A' 1742 ' ' THR . 42.7 m -70.25 -38.7 75.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.08 0.467 . . . . 1.0 110.142 -179.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.487 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.2 tp -58.72 -50.93 72.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 1.0 111.323 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -71.47 -30.77 66.37 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.935 -0.306 . . . . 1.0 111.249 -178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 29.8 t70 -64.81 -43.21 93.87 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.9 -0.407 . . . . 1.0 109.9 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.715 ' HG ' HG23 ' A' 1742 ' ' THR . 35.8 mt -64.59 -41.94 95.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.931 -0.577 . . . . 1.0 111.136 175.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 19.1 t70 -62.15 -41.04 97.9 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.735 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 -76.55 -29.48 56.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.819 -0.628 . . . . 1.0 110.921 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.576 ' HB1' HG13 ' A' 1746 ' ' VAL . . . -57.48 -46.8 83.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 1.0 110.833 176.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 48.4 t -57.9 -42.0 83.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.524 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 53.4 tp -68.76 -35.71 77.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.716 -0.675 . . . . 1.0 110.922 -178.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -75.7 -42.77 50.0 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.878 178.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -66.34 -35.28 79.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 1.0 111.8 -177.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 11.4 p -67.45 -29.24 44.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.863 0.363 . . . . 1.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 32.9 t -97.7 3.48 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 1.0 110.124 176.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 58.52 30.91 20.41 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.525 -0.761 . . . . 1.0 111.629 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -99.72 8.69 44.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.453 0.644 . . . . 1.0 109.735 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.441 HD21 HG13 ' A' 1746 ' ' VAL . 34.9 tp -90.97 121.46 32.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.367 -0.833 . . . . 1.0 110.084 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -88.77 160.7 43.53 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.164 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -48.44 143.32 15.76 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.08 2.52 . . . . 1.0 112.429 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.727 HH11 ' HA ' ' A' 1743 ' ' LEU . 0.0 OUTLIER -85.64 129.95 34.69 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.582 -0.736 . . . . 1.0 112.464 -173.096 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 33.71 -103.0 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.398 0 O-C-N 125.166 1.541 . . . . 1.0 112.475 176.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -155.54 62.68 0.34 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.868 -0.893 . . . . 1.0 110.868 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.483 HG21 HD21 ' A' 1698 ' ' LEU . 7.7 tp -135.48 134.17 52.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 120.978 0.418 . . . . 1.0 111.244 -172.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.597 ' O ' ' HG ' ' A' 1698 ' ' LEU . 60.0 m -82.71 164.45 20.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 1.0 111.856 -176.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' 1698 ' ' LEU . 20.6 tp60 -66.63 -49.34 66.59 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.649 0.611 . . . . 1.0 112.649 -171.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.44 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 43.8 mt-10 -67.16 -39.81 86.55 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.807 -0.442 . . . . 1.0 109.807 178.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -54.78 -38.34 67.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.719 -0.673 . . . . 1.0 110.431 174.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.793 HD22 ' HA ' ' A' 1744 ' ' ALA . 69.1 mt -65.41 -44.07 88.6 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.477 177.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.44 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 20.9 m170 -58.56 -44.04 89.56 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.55 -0.537 . . . . 1.0 109.55 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 4.7 m -69.89 -42.91 72.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.803 178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.98 -53.47 56.82 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.059 -177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.516 ' O ' HG23 ' A' 1706 ' ' VAL . 50.1 mtp -61.54 -46.94 87.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 -177.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.725 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -56.94 -38.25 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.902 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 81.4 m -71.66 -51.12 24.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.672 0.272 . . . . 1.0 110.944 179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.589 ' O ' HG13 ' A' 1709 ' ' ILE . . . -61.27 -40.47 94.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.258 -0.428 . . . . 1.0 111.628 -176.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.728 HG12 HG13 ' A' 1807 ' ' VAL . 78.8 t -63.64 -41.87 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.029 0.443 . . . . 1.0 110.493 -175.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -66.58 -42.65 86.66 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.8 -0.636 . . . . 1.0 110.558 176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 54.3 mm-40 -57.69 -43.19 84.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.835 -0.62 . . . . 1.0 110.966 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.721 ' O ' HG13 ' A' 1713 ' ' ILE . 79.0 mt -61.53 -55.34 25.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 1.0 110.179 176.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.466 ' HA ' HD12 ' A' 1713 ' ' ILE . 43.0 t -49.55 -45.98 48.23 Favored 'General case' 0 C--O 1.239 0.529 0 O-C-N 123.561 0.538 . . . . 1.0 110.816 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 49.9 t60 -53.52 -40.4 65.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.226 -0.897 . . . . 1.0 111.207 178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.897 HD11 ' HB2' ' A' 1734 ' ' MET . 1.4 pp -92.64 -15.8 26.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.008 0.373 . . . . 1.0 112.008 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.862 HG22 HG23 ' A' 1800 ' ' VAL . 63.0 mt -60.98 -47.34 94.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-O 120.726 0.298 . . . . 1.0 110.653 -177.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.435 ' N ' ' HD2' ' A' 1715 ' ' PRO . 34.7 mt-10 -61.83 -54.77 48.03 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.188 -0.46 . . . . 1.0 111.481 -178.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.45 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 22.0 Cg_endo -61.14 -26.13 82.08 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.191 1.927 . . . . 1.0 112.927 176.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.778 HD13 ' HE3' ' A' 1734 ' ' MET . 7.7 tt -68.1 -47.27 68.66 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.36 -0.607 . . . . 1.0 109.36 177.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -60.07 -41.31 92.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.977 0.418 . . . . 1.0 110.649 177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 45.3 t -61.78 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.679 -0.691 . . . . 1.0 110.984 176.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.648 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -73.79 -41.94 61.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.083 -178.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.671 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -57.3 -34.84 69.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.649 -178.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.427 ' HB2' HE21 ' A' 1793 ' ' GLN . 13.4 ptm180 -84.87 -12.97 52.34 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 120.965 -0.294 . . . . 1.0 111.776 -176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -152.34 -67.02 0.17 Allowed 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.702 0.63 . . . . 1.0 112.702 -174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.648 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 19.9 mt-10 -65.4 92.71 0.13 Allowed 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.691 0.396 . . . . 1.0 111.809 -176.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.416 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -71.26 -54.2 11.71 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.245 0.461 . . . . 1.0 112.245 -174.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 14.9 t -73.9 -15.1 61.15 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.884 0.373 . . . . 1.0 111.164 -171.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -95.3 -30.28 14.03 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.366 0.603 . . . . 1.0 109.743 -179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.671 HD22 ' HA ' ' A' 1720 ' ' ALA . 15.3 tp -55.49 -42.02 73.81 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.883 -1.053 . . . . 1.0 112.027 -179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -51.43 -37.93 41.2 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 121.183 -0.532 . . . . 1.0 112.393 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.409 ' O ' ' HG3' ' A' 1733 ' ' GLN . 88.5 m-70 -59.53 -52.88 63.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.696 0.284 . . . . 1.0 110.487 176.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.483 ' HG2' ' HA ' ' A' 1727 ' ' LEU . 3.1 mmtp -59.88 -45.66 91.78 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.416 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.794 HG11 ' HA ' ' A' 1661 ' ' CYS . 60.2 t -59.28 -52.38 61.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.751 . . . . 1.0 111.524 -175.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 3.5 t -64.75 -33.44 75.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.286 -177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' 1729 ' ' HIS . 22.5 mt-30 -68.08 -42.09 80.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.997 178.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.897 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.9 ttm -65.29 -47.89 75.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.365 . . . . 1.0 110.652 -178.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -65.92 -27.86 68.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.472 0.653 . . . . 1.0 110.159 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -65.06 -35.34 80.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.893 -1.049 . . . . 1.0 111.546 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -81.08 -29.85 34.83 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 111.831 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.634 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.7 m-85 -70.13 -23.88 63.08 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.968 -177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -65.26 -57.6 14.71 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-O 119.526 -0.273 . . . . 1.0 111.097 178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -57.57 -38.68 92.95 Favored 'Trans proline' 0 C--N 1.36 1.147 0 C-N-CA 121.66 1.573 . . . . 1.0 112.017 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' 1741 ' ' LEU . 13.0 mt -56.16 -42.59 77.24 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.831 0.348 . . . . 1.0 110.893 177.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.715 HG23 ' HG ' ' A' 1675 ' ' LEU . 70.1 m -60.84 -55.74 29.48 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.639 176.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.727 ' HA ' HH11 ' A' 1690 ' ' ARG . 45.0 mt -57.58 -35.18 70.05 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-O 120.971 0.415 . . . . 1.0 110.775 177.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.793 ' HA ' HD22 ' A' 1698 ' ' LEU . . . -72.24 -46.85 54.3 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.73 -0.668 . . . . 1.0 111.493 -178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.464 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -65.27 -46.03 82.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.396 . . . . 1.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' 1742 ' ' THR . 28.2 t -65.5 -27.2 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.446 0.641 . . . . 1.0 109.466 176.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.695 ' O ' ' HG3' ' A' 1751 ' ' LYS . . . -70.44 -27.67 72.31 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.663 -0.698 . . . . 1.0 111.934 175.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.718 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -78.62 -41.36 31.79 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 172.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' 1758 ' ' GLN . . . -53.43 -38.07 63.16 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.04 -0.527 . . . . 1.0 111.869 176.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.9 p -81.11 -52.15 7.69 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 112.341 0.497 . . . . 1.0 112.341 -174.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.695 ' HG3' ' O ' ' A' 1747 ' ' GLY . 2.4 mtmm -94.77 -18.75 20.95 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.51 0.93 . . . . 1.0 113.51 -168.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.483 ' CG2' ' HB1' ' A' 1821 ' ' ALA . 95.0 m -76.19 117.97 18.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.349 0.595 . . . . 1.0 111.324 -176.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 80.9 mt -74.13 -30.84 62.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.475 -0.784 . . . . 1.0 110.743 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 40.3 t -68.98 89.15 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.605 ' N ' ' HD2' ' A' 1756 ' ' PRO . 32.5 m170 -60.63 -44.52 95.6 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 113.34 0.867 . . . . 1.0 113.34 -172.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.605 ' HD2' ' N ' ' A' 1755 ' ' HIS . 5.7 Cg_endo -49.07 -51.97 9.61 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.178 1.919 . . . . 1.0 112.608 177.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -77.73 -34.58 52.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.59 -0.277 . . . . 1.0 110.857 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.528 ' CG ' ' HA ' ' A' 1749 ' ' ALA . 1.4 tt0 -52.52 -53.59 44.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.201 175.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.3 mmt -71.36 -32.97 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.382 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -66.33 -54.37 25.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.554 -0.294 . . . . 1.0 111.61 -175.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' 1748 ' ' ALA . 3.9 pp -70.46 -31.04 68.02 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.353 -0.539 . . . . 1.0 109.687 -176.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.464 ' HA ' ' HB1' ' A' 1745 ' ' ALA . 54.6 tp -58.74 -52.77 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.726 -0.67 . . . . 1.0 109.99 174.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -65.96 -43.17 88.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.304 -0.862 . . . . 1.0 111.091 179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.559 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.1 mt-30 -65.12 -35.16 80.24 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.898 0.332 . . . . 1.0 111.898 -177.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 60.3 m -63.1 -39.79 95.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.519 0.676 . . . . 1.0 109.303 174.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.487 ' HG3' HD12 ' A' 1672 ' ' LEU . 40.4 tttm -67.57 -43.82 79.68 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.927 -1.033 . . . . 1.0 110.653 177.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 26.1 m -58.67 -42.1 87.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.066 0.46 . . . . 1.0 110.513 174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.7 tp -65.17 -35.89 82.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.042 176.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.61 -42.22 95.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.438 -0.346 . . . . 1.0 110.817 176.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.6 -36.4 82.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.898 0.38 . . . . 1.0 110.515 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 25.4 m -66.12 -43.12 88.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.153 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -69.19 -31.73 70.54 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.987 178.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.516 HD11 HG23 ' A' 1665 ' ' ILE . 18.5 tp -66.37 -46.05 78.03 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -61.07 -36.42 79.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.915 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.707 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -64.79 -52.16 58.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.032 176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.624 HD22 HG13 ' A' 1731 ' ' VAL . 62.5 mt -64.03 -30.5 71.57 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-O 120.489 0.185 . . . . 1.0 111.013 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.77 -54.21 38.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 1.0 111.084 175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 11.1 p -66.78 -37.93 85.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 1.0 110.799 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' 1720 ' ' ALA . . . -67.46 -23.87 65.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.972 176.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.47 ' HA ' ' CB ' ' A' 1661 ' ' CYS . 30.0 ttpt -72.42 -52.76 14.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.023 0.44 . . . . 1.0 110.194 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.85 ' HB3' ' HG2' ' A' 1652 ' ' PRO . 40.0 mt-10 -70.28 -42.18 72.43 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.457 -0.792 . . . . 1.0 111.689 -173.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.99 -15.82 52.43 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.743 -0.208 . . . . 1.0 111.291 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.06 99.77 0.02 OUTLIER Glycine 0 C--N 1.332 0.317 0 N-CA-C 115.808 1.083 . . . . 1.0 115.808 -165.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.416 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 79.96 -1.69 78.26 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.16 -0.52 . . . . 1.0 113.485 170.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.682 ' HB2' ' HB2' ' A' 1655 ' ' ALA . 4.6 t30 -147.06 84.21 7.52 Favored Pre-proline 0 C--N 1.319 -0.73 0 CA-C-O 121.118 0.485 . . . . 1.0 110.095 -177.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.587 ' HB3' ' NE2' ' A' 1793 ' ' GLN . 5.4 Cg_endo -49.72 -47.1 24.37 Favored 'Trans proline' 0 N--CA 1.463 -0.305 0 C-N-CA 123.854 3.036 . . . . 1.0 113.989 -177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -76.91 -0.1 22.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.682 0.993 . . . . 1.0 113.682 -166.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.607 ' HB2' ' ND2' ' A' 1785 ' ' ASN . 4.5 tp-100 -96.79 -15.1 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 119.983 -0.687 . . . . 1.0 109.27 175.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.9 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -114.89 -52.88 2.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.212 -177.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 61.2 -80.82 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.742 0.817 . . . . 1.0 112.469 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 70.8 m80 -66.39 -23.05 66.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.135 0.493 . . . . 1.0 110.689 -177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.9 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 85.4 m -65.06 -30.63 71.61 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.66 -0.7 . . . . 1.0 110.359 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.587 ' NE2' ' HB3' ' A' 1786 ' ' PRO . 47.3 mt-30 -66.59 -36.3 82.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.791 -178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -71.16 -41.21 70.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.105 0.479 . . . . 1.0 110.283 179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.08 -27.47 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.837 178.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.5 tp -61.77 -29.46 70.15 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.248 175.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -76.79 -27.69 55.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 1.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' 1802 ' ' MET . 11.4 mm-40 -74.92 -41.03 60.48 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.052 -0.522 . . . . 1.0 109.987 174.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.49 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.688 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.862 HG23 HG22 ' A' 1713 ' ' ILE . 9.9 p -62.06 -35.29 67.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 CA-C-O 120.89 0.376 . . . . 1.0 110.798 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' 1804 ' ' THR . 49.1 mt-30 -74.44 -33.72 63.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.837 0.351 . . . . 1.0 110.787 178.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.465 ' HG2' ' O ' ' A' 1798 ' ' GLU . 93.8 mmm -61.21 -35.69 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.857 0.36 . . . . 1.0 110.613 178.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.692 ' HB3' HD13 ' A' 1713 ' ' ILE . 63.2 mtp -68.25 -52.15 37.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.334 -0.394 . . . . 1.0 111.205 178.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.444 HG22 ' O ' ' A' 1801 ' ' GLN . 6.6 t -58.75 -30.01 67.19 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.002 -0.279 . . . . 1.0 110.667 -177.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -60.82 -54.18 48.3 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.876 0.37 . . . . 1.0 110.138 175.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -70.46 -27.28 64.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 111.296 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.728 HG13 HG12 ' A' 1706 ' ' VAL . 38.1 t -59.72 -55.31 24.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.273 -0.421 . . . . 1.0 111.401 178.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -67.05 -30.88 71.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.826 0.346 . . . . 1.0 110.549 177.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -68.34 -52.56 32.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.156 -177.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' 1814 ' ' LEU . 22.5 tp -63.0 -43.21 99.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.383 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.725 HG23 HD23 ' A' 1703 ' ' LEU . 36.4 m -56.59 -37.52 70.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.851 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' 1816 ' ' GLU . 61.8 m -61.59 -49.89 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 O-C-N 122.446 -0.159 . . . . 1.0 110.937 177.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 2.8 m -58.98 -37.8 77.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.23 0.538 . . . . 1.0 110.447 179.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' 1810 ' ' LEU . 89.1 mt -68.25 -49.14 62.59 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.539 -0.755 . . . . 1.0 111.806 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.573 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -68.28 -32.22 72.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.956 -0.565 . . . . 1.0 111.787 -175.198 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' 1812 ' ' THR . 47.9 mm-40 -72.12 -43.37 64.84 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.491 -0.929 . . . . 1.0 108.491 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -55.21 -21.19 12.91 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-N 115.343 -0.844 . . . . 1.0 112.301 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.38 -49.51 61.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 1.0 110.636 176.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 14.9 m -105.46 -27.09 11.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.896 177.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.76 -30.31 24.77 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -172.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' 1752 ' ' THR . . . -140.85 82.12 1.83 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.956 0.408 . . . . 1.0 111.633 -174.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.378 -1.235 . . . . 1.0 111.517 179.185 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.733 0 N-CA-C 112.031 -0.428 . . . . 1.0 112.031 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 38.1 pt -81.05 166.58 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.707 0.289 . . . . 1.0 110.641 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.18 77.99 76.8 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-O 121.079 0.466 . . . . 1.0 111.205 -179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -97.12 -80.73 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.045 0 C-N-CA 123.104 2.536 . . . . 1.0 113.188 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.819 ' HB2' ' HG2' ' A' 1658 ' ' GLN . 45.8 p90 -169.49 142.17 2.55 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.44 -0.578 . . . . 1.0 109.44 -178.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.4 p -149.86 32.43 0.69 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.47 0.915 . . . . 1.0 113.47 -173.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.438 ' O ' ' HB2' ' A' 1658 ' ' GLN . . . -152.29 164.61 19.74 Favored Pre-proline 0 C--N 1.325 -0.465 0 C-N-CA 120.599 -0.44 . . . . 1.0 111.582 -178.385 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -63.66 138.28 63.47 Favored 'Trans proline' 0 C--N 1.35 0.627 0 C-N-CA 122.891 2.394 . . . . 1.0 112.041 175.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 102.02 -26.89 22.73 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.714 -0.755 . . . . 1.0 111.381 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.819 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 1.5 mp0 -60.59 -27.04 67.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 122.654 0.382 . . . . 1.0 111.9 -178.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.81 -47.83 83.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.904 0.383 . . . . 1.0 110.112 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -62.33 -36.74 83.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.568 -0.742 . . . . 1.0 109.794 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.751 ' HA ' HG11 ' A' 1731 ' ' VAL . 64.9 m -63.82 -51.02 66.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.409 -0.814 . . . . 1.0 110.369 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.54 -45.92 90.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.36 -177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.3 t -69.44 -33.75 73.4 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.617 -0.433 . . . . 1.0 110.942 -177.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -71.25 -36.83 71.91 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-O 120.717 0.294 . . . . 1.0 110.446 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1661 ' ' CYS . 36.9 mt -57.45 -38.79 65.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.609 176.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -67.26 -35.82 80.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.135 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.31 -41.76 39.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.283 0.564 . . . . 1.0 110.555 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 1773 ' ' LEU . 48.3 tp -65.88 -35.99 82.17 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.441 -0.799 . . . . 1.0 110.291 178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -64.47 -39.94 94.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.389 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 26.8 t -58.35 -40.21 81.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.807 177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.562 ' HB3' ' OG1' ' A' 1742 ' ' THR . 67.9 m -74.24 -41.36 61.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.888 0.375 . . . . 1.0 110.131 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.521 HD12 ' HG3' ' A' 1766 ' ' LYS . 52.2 tp -57.64 -46.49 84.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.063 179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -66.95 -36.04 81.33 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.057 -0.519 . . . . 1.0 111.506 -178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.01 -35.93 72.23 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.925 -0.398 . . . . 1.0 109.925 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.748 ' HG ' HG23 ' A' 1742 ' ' THR . 42.4 mt -60.7 -40.06 90.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.035 175.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' 1680 ' ' LEU . 21.0 t70 -65.0 -44.84 87.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.872 -0.604 . . . . 1.0 109.967 179.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -69.2 -28.97 66.86 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.909 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.469 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -58.35 -47.29 84.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.597 176.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 33.5 t -58.59 -47.25 84.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.599 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.434 HD13 ' O ' ' A' 1676 ' ' ASP . 9.2 mp -63.37 -33.49 75.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.541 -178.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.467 ' HB3' HD13 ' A' 1687 ' ' LEU . . . -79.3 -42.06 26.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.937 178.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.502 ' HB2' HD22 ' A' 1687 ' ' LEU . . . -65.09 -38.71 91.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.311 -178.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 10.0 p -67.65 -16.52 21.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.139 0.495 . . . . 1.0 110.677 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.0 m -110.48 3.07 19.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.817 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 59.23 38.06 23.55 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.046 -0.525 . . . . 1.0 111.694 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -125.27 17.7 8.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.973 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' 1682 ' ' ALA . 48.9 tp -79.87 141.59 35.99 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.888 0.375 . . . . 1.0 111.335 -175.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.492 ' HB1' ' HD2' ' A' 1689 ' ' PRO . . . -65.25 160.58 56.8 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.298 175.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.492 ' HD2' ' HB1' ' A' 1688 ' ' ALA . 43.9 Cg_endo -67.84 178.6 3.28 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.551 2.168 . . . . 1.0 113.141 -178.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.07 -179.68 0.79 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.829 -0.623 . . . . 1.0 112.136 177.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.18 -28.54 65.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.347 -178.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 151.65 -0.81 0.32 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.572 -0.823 . . . . 1.0 113.402 173.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 3.1 tp -102.03 168.66 2.0 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 117.332 0.566 . . . . 1.0 111.155 -176.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 19.2 m -84.45 178.52 7.7 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.137 0.494 . . . . 1.0 111.769 -177.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.36 -55.63 22.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.825 -0.625 . . . . 1.0 112.641 -171.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.519 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 41.1 tt0 -66.36 -34.89 78.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.852 0.358 . . . . 1.0 110.389 -178.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.48 91.31 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.334 178.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.407 ' CD1' ' HD3' ' A' 1751 ' ' LYS . 15.8 mt -58.91 -43.23 91.0 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.372 -0.376 . . . . 1.0 111.134 175.009 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.519 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 26.0 m170 -54.6 -48.07 72.6 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.761 -179.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.3 m -77.79 -33.61 52.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.45 -0.795 . . . . 1.0 111.506 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . 0.445 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 25.5 tt0 -58.27 -56.16 25.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.895 0.379 . . . . 1.0 110.547 -178.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.572 ' O ' HG23 ' A' 1706 ' ' VAL . 81.1 mtp -62.43 -47.27 84.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.956 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.735 HD23 HG23 ' A' 1811 ' ' THR . 1.3 tm? -52.62 -44.8 66.28 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.345 -0.843 . . . . 1.0 111.327 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 38.8 m -69.93 -40.71 75.36 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.603 0.239 . . . . 1.0 111.326 -177.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.535 ' O ' HG13 ' A' 1709 ' ' ILE . . . -62.81 -47.19 84.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.757 0.313 . . . . 1.0 110.844 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.807 HG12 HG13 ' A' 1807 ' ' VAL . 97.6 t -57.53 -38.89 66.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-N 115.76 -0.655 . . . . 1.0 111.304 -178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.527 ' HG3' ' O ' ' A' 1703 ' ' LEU . 72.1 mt-30 -59.5 -48.24 82.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.44 -0.345 . . . . 1.0 111.231 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.84 -28.92 67.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.314 -179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.567 ' O ' HG13 ' A' 1713 ' ' ILE . 73.2 mt -62.03 -55.16 25.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.082 -0.711 . . . . 1.0 109.082 172.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.657 ' HB2' HG11 ' A' 1807 ' ' VAL . 35.0 t -54.61 -40.97 69.42 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.543 177.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -51.44 -44.2 62.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.025 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' 1734 ' ' MET . 1.9 pp -92.14 -14.34 29.29 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 111.866 0.321 . . . . 1.0 111.866 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.765 HD13 ' HB3' ' A' 1803 ' ' MET . 22.4 mt -61.61 -48.48 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 111.75 0.278 . . . . 1.0 111.75 -176.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.426 ' N ' ' HD2' ' A' 1715 ' ' PRO . 4.8 mp0 -58.16 -57.05 28.85 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 111.775 0.287 . . . . 1.0 111.775 178.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' 1714 ' ' GLU . 24.7 Cg_endo -61.29 -33.55 89.41 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.284 1.989 . . . . 1.0 113.186 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.838 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -63.98 -39.03 93.2 Favored 'General case' 0 C--O 1.222 -0.343 0 N-CA-C 110.03 -0.359 . . . . 1.0 110.03 -178.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . 0.436 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -61.99 -41.99 98.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.362 0.601 . . . . 1.0 109.91 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 12.5 m -66.36 -42.16 88.43 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.093 -0.958 . . . . 1.0 110.95 178.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.631 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.03 -43.39 53.85 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.816 -177.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.633 ' HA ' HD13 ' A' 1727 ' ' LEU . . . -58.26 -36.27 73.0 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.929 0.344 . . . . 1.0 111.929 -174.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.448 ' HB3' HD23 ' A' 1796 ' ' LEU . 12.6 ptm180 -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 112.469 0.544 . . . . 1.0 112.469 -175.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.1 -54.94 0.16 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.337 0.866 . . . . 1.0 113.337 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.631 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 2.0 mp0 -71.03 88.08 0.76 Allowed 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 120.867 0.365 . . . . 1.0 111.687 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.744 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -67.48 -36.21 80.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.961 -177.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 16.7 m -75.46 -23.22 56.83 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.048 0.388 . . . . 1.0 112.048 -172.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.414 ' HB3' ' HE2' ' A' 1730 ' ' LYS . 52.4 mt-30 -97.42 -23.92 15.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.365 0.602 . . . . 1.0 110.62 -177.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.633 HD13 ' HA ' ' A' 1720 ' ' ALA . 9.0 tp -56.91 -52.26 65.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.851 -1.068 . . . . 1.0 113.545 -172.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -55.25 -35.47 60.45 Favored Glycine 0 C--N 1.323 -0.174 0 C-N-CA 121.105 -0.569 . . . . 1.0 112.603 -176.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 71.8 t60 -69.17 -28.81 66.74 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.672 0.272 . . . . 1.0 110.665 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.414 ' HE2' ' HB3' ' A' 1726 ' ' GLN . 46.1 mmtt -71.65 -49.4 40.24 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.447 0.642 . . . . 1.0 109.781 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.822 HG13 HD22 ' A' 1776 ' ' LEU . 65.6 t -57.45 -44.9 85.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 114.85 -1.068 . . . . 1.0 111.238 -175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 7.4 t -61.02 -36.59 79.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.361 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.635 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.6 mt-30 -67.81 -51.08 52.9 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.963 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.838 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.5 ttm -58.53 -42.43 87.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.843 0.354 . . . . 1.0 110.845 -175.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.68 -27.71 66.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.374 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.635 ' HG2' ' O ' ' A' 1733 ' ' GLN . 10.1 pt20 -74.72 -32.12 62.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.606 -0.27 . . . . 1.0 110.859 -175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -75.18 -30.35 60.65 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.874 0.369 . . . . 1.0 111.199 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.46 ' CE2' HD13 ' A' 1709 ' ' ILE . 19.8 m-85 -72.8 -22.78 60.77 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.36 -0.382 . . . . 1.0 111.898 -178.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.477 ' HB3' ' HD3' ' A' 1740 ' ' PRO . 39.8 tt0 -58.03 -58.88 15.49 Favored Pre-proline 0 CA--C 1.542 0.644 0 CA-C-O 119.429 -0.32 . . . . 1.0 110.816 178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' 1739 ' ' GLU . 20.5 Cg_endo -67.2 -36.71 20.5 Favored 'Trans proline' 0 C--N 1.358 1.027 0 C-N-CA 121.597 1.531 . . . . 1.0 112.332 175.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.517 HD11 HG22 ' A' 1706 ' ' VAL . 0.3 OUTLIER -53.17 -50.43 64.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.998 0.428 . . . . 1.0 110.068 -178.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.748 HG23 ' HG ' ' A' 1675 ' ' LEU . 40.5 m -56.36 -52.73 63.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.225 176.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.86 -38.42 90.91 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.04 0.448 . . . . 1.0 110.931 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.445 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -67.5 -38.49 84.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.752 -0.658 . . . . 1.0 110.425 178.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.18 -45.25 81.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.93 177.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' 1742 ' ' THR . 46.3 t -61.66 -36.87 76.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.452 -0.573 . . . . 1.0 109.452 176.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.651 ' O ' ' HG2' ' A' 1751 ' ' LYS . . . -60.28 -49.62 76.57 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.583 -0.735 . . . . 1.0 112.078 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.59 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -53.28 -48.02 68.67 Favored 'General case' 0 CA--C 1.518 -0.282 0 C-N-CA 122.407 0.283 . . . . 1.0 110.86 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.674 ' HA ' ' HB2' ' A' 1758 ' ' GLN . . . -56.85 -34.51 67.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.354 0.597 . . . . 1.0 111.652 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 10.1 t -82.39 -47.27 12.49 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.923 -0.58 . . . . 1.0 111.439 -171.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' 1747 ' ' GLY . 0.0 OUTLIER -91.79 -33.09 15.12 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.676 0.621 . . . . 1.0 112.676 -174.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.587 ' HB ' ' HB3' ' A' 1758 ' ' GLN . 55.3 m -78.34 125.69 29.71 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.126 0.489 . . . . 1.0 110.744 -178.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 28.5 tp -130.44 20.91 5.19 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.142 -0.688 . . . . 1.0 109.142 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . 0.744 ' HB2' ' HA ' ' A' 1821 ' ' ALA . 10.2 m -97.24 103.55 15.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.524 -0.762 . . . . 1.0 110.198 -177.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.765 ' HB3' ' HD2' ' A' 1756 ' ' PRO . 63.4 m-70 62.38 176.41 0.05 OUTLIER Pre-proline 0 CA--C 1.535 0.397 0 O-C-N 123.417 0.448 . . . . 1.0 110.727 -178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.765 ' HD2' ' HB3' ' A' 1755 ' ' HIS . 47.4 Cg_endo -70.24 24.84 0.19 Allowed 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.376 2.051 . . . . 1.0 112.864 174.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.489 ' HG2' ' HB2' ' A' 1755 ' ' HIS . 15.7 mm100 -66.3 -48.55 69.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 1.0 111.221 -177.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.674 ' HB2' ' HA ' ' A' 1749 ' ' ALA . 1.2 pp0? -64.99 -42.7 94.28 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.659 -0.246 . . . . 1.0 110.488 -177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 20.8 mmt -63.43 -40.14 96.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.375 . . . . 1.0 110.745 179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.59 -53.29 43.82 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.044 -0.526 . . . . 1.0 111.016 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.59 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.2 pp -69.8 -30.66 68.24 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.358 -0.537 . . . . 1.0 110.3 -176.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.493 HD22 ' HB2' ' A' 1749 ' ' ALA . 61.5 tp -60.3 -53.33 58.89 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.147 0.498 . . . . 1.0 110.099 176.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.2 t70 -69.79 -35.02 74.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.602 -0.726 . . . . 1.0 110.609 -178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -69.29 -35.66 76.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.683 -0.235 . . . . 1.0 111.398 178.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.498 HG23 HD22 ' A' 1741 ' ' LEU . 88.7 m -62.07 -43.27 99.2 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-O 121.414 0.626 . . . . 1.0 109.375 174.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.521 ' HG3' HD12 ' A' 1672 ' ' LEU . 52.9 tttm -64.66 -40.54 95.59 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.14 -0.937 . . . . 1.0 110.499 176.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 88.8 m -57.56 -48.42 79.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.532 174.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.488 HD13 ' HB3' ' A' 1806 ' ' ALA . 53.3 tp -64.18 -35.3 80.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.319 177.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -66.07 -38.59 88.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.865 176.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.52 ' HG3' HD11 ' A' 1672 ' ' LEU . 43.5 mt-10 -67.23 -39.79 86.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 1.0 110.394 175.517 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.4 m -63.46 -41.26 98.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.533 . . . . 1.0 109.986 175.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -67.48 -38.68 84.74 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.927 177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.453 HD11 HG23 ' A' 1665 ' ' ILE . 18.8 tp -66.44 -40.56 89.52 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -63.51 -37.14 86.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.837 -0.619 . . . . 1.0 109.482 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.815 HD11 HD22 ' A' 1716 ' ' LEU . 3.2 tm? -65.63 -53.96 34.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.085 -0.961 . . . . 1.0 110.016 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.822 HD22 HG13 ' A' 1731 ' ' VAL . 45.7 mt -61.72 -33.47 74.09 Favored 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 121.14 -0.224 . . . . 1.0 110.96 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -63.12 -54.57 35.77 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.55 -0.296 . . . . 1.0 110.713 175.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.6 p -65.13 -30.19 71.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.063 0.458 . . . . 1.0 110.961 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.97 -22.96 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.217 -0.447 . . . . 1.0 111.004 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.611 ' HG2' ' HB3' ' A' 1653 ' ' PHE . 4.3 ttpm? -81.26 -42.09 21.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 1.0 110.811 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.633 ' HB2' HG21 ' A' 1792 ' ' THR . 1.4 mp0 -75.25 -43.46 51.4 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.808 -0.357 . . . . 1.0 111.497 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.905 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -82.07 -16.8 48.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.031 0.382 . . . . 1.0 112.031 -177.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . 0.472 ' HA2' ' O ' ' A' 1720 ' ' ALA . . . -47.98 96.24 0.01 OUTLIER Glycine 0 C--N 1.332 0.327 0 O-C-N 124.26 0.975 . . . . 1.0 114.841 -168.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.744 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 60.91 15.97 44.99 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.689 -0.291 . . . . 1.0 113.175 175.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.53 ' ND2' ' H ' ' A' 1788 ' ' GLN . 11.8 t30 -147.99 87.41 5.81 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 121.101 0.477 . . . . 1.0 110.066 -176.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.475 ' HA ' HE21 ' A' 1793 ' ' GLN . 38.7 Cg_exo -58.94 -25.68 78.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.188 2.592 . . . . 1.0 112.54 -178.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -59.87 -49.3 78.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.493 0.717 . . . . 1.0 112.016 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.53 ' H ' ' ND2' ' A' 1785 ' ' ASN . 23.4 tp60 -79.03 -18.16 54.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.253 0.549 . . . . 1.0 110.237 -178.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.905 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -79.45 -70.28 0.52 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.558 -0.746 . . . . 1.0 111.75 -176.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . 55.35 -90.6 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.508 0.505 . . . . 1.0 111.376 -173.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.13 -22.5 55.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 1.0 109.928 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.633 HG21 ' HB2' ' A' 1781 ' ' GLU . 84.7 m -64.48 -31.96 73.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.096 -0.502 . . . . 1.0 109.963 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.485 ' HG2' ' CB ' ' A' 1789 ' ' ALA . 54.5 mm-40 -59.07 -44.93 91.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.865 -0.607 . . . . 1.0 109.806 175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -69.73 -43.24 72.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.349 -0.842 . . . . 1.0 110.672 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -71.51 -27.91 63.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 1.0 111.752 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.632 HD21 ' HB3' ' A' 1720 ' ' ALA . 59.4 tp -63.57 -28.23 69.79 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.203 0.525 . . . . 1.0 109.785 175.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -76.2 -31.11 58.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 1.0 109.913 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' 1802 ' ' MET . 36.3 mm-40 -72.46 -43.57 63.55 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.915 -0.584 . . . . 1.0 109.679 175.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -60.72 -44.02 97.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 1.0 111.883 -177.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 7.8 p -61.09 -39.0 80.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 1.0 110.515 178.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -67.42 -42.49 83.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.39 178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.496 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.0 mtt -55.99 -46.19 78.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.894 -0.594 . . . . 1.0 110.918 178.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.765 ' HB3' HD13 ' A' 1713 ' ' ILE . 62.4 mtp -66.82 -53.19 35.22 Favored 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 120.916 -0.314 . . . . 1.0 111.177 178.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 88.6 m -52.89 -44.02 66.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.018 0.437 . . . . 1.0 111.446 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -64.24 -40.44 96.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.411 178.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.488 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.15 -27.32 53.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.536 -0.756 . . . . 1.0 110.882 -176.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.807 HG13 HG12 ' A' 1706 ' ' VAL . 19.3 t -53.77 -55.09 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.735 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -72.25 -27.93 62.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.915 -0.584 . . . . 1.0 110.03 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.447 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 38.3 t70 -63.07 -54.61 35.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.42 -0.809 . . . . 1.0 110.8 -178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 28.4 tp -64.58 -43.64 93.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.211 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.735 HG23 HD23 ' A' 1703 ' ' LEU . 21.2 m -54.5 -37.93 65.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.454 -0.793 . . . . 1.0 111.505 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' 1816 ' ' GLU . 63.3 m -59.41 -51.54 69.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.748 -0.206 . . . . 1.0 110.714 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 11.9 m -61.14 -32.97 72.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.109 0.48 . . . . 1.0 110.97 -179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.423 HD23 HD22 ' A' 1761 ' ' LEU . 93.2 mt -73.46 -42.29 62.12 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.693 179.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.472 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.48 -25.7 59.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.979 -179.181 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' 1812 ' ' THR . 44.7 mt-10 -72.36 -38.77 68.47 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.43 -0.952 . . . . 1.0 108.43 171.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -58.03 -15.17 8.23 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 115.276 -0.875 . . . . 1.0 112.456 -177.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -55.65 -50.1 71.13 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.016 0.436 . . . . 1.0 110.35 175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 22.7 m -104.5 -28.73 11.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.934 176.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -78.08 -18.87 55.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.036 -0.529 . . . . 1.0 112.073 -175.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.744 ' HA ' ' HB2' ' A' 1754 ' ' SER . . . -156.21 48.03 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.155 0.502 . . . . 1.0 110.866 -175.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.787 -1.007 . . . . 1.0 111.68 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 112.255 -0.338 . . . . 1.0 112.255 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' 1650 ' ' ILE . 11.2 tp -100.57 9.78 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.751 0.786 . . . . 1.0 109.663 -178.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.592 ' HB3' ' HB2' ' A' 1658 ' ' GLN . 5.0 m-20 -54.14 115.7 8.88 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 114.786 -1.097 . . . . 1.0 111.351 -177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' 1658 ' ' GLN . 51.8 Cg_exo -54.89 -47.93 23.98 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 123.04 2.494 . . . . 1.0 112.487 -177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.578 ' CE1' ' HA ' ' A' 1781 ' ' GLU . 89.1 m-85 -89.82 18.4 5.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.797 -178.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 15.0 t 47.08 50.16 14.31 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.999 0.919 . . . . 1.0 112.973 171.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -148.5 164.94 19.46 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 115.646 -0.706 . . . . 1.0 110.152 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -75.45 119.27 5.45 Favored 'Trans proline' 0 N--CA 1.462 -0.377 0 C-N-CA 122.492 2.128 . . . . 1.0 111.446 173.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 133.07 -38.36 1.88 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.949 -0.643 . . . . 1.0 111.552 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.592 ' HB2' ' HB3' ' A' 1651 ' ' ASP . 14.7 mp0 -53.06 -56.0 19.51 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 122.652 0.381 . . . . 1.0 111.545 179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 36.3 tp -61.78 -42.71 99.34 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 120.774 0.321 . . . . 1.0 111.239 179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -58.64 -36.89 74.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.756 -0.656 . . . . 1.0 109.553 -176.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.748 ' HA ' HG11 ' A' 1731 ' ' VAL . 61.0 m -74.86 -45.7 41.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.501 -0.772 . . . . 1.0 109.791 176.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -53.69 -47.58 70.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.534 . . . . 1.0 111.701 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 12.1 t -71.64 -31.66 67.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.767 0.318 . . . . 1.0 110.788 -177.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -75.67 -39.43 57.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.826 0.346 . . . . 1.0 110.584 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' 1661 ' ' CYS . 58.9 mt -57.59 -40.77 76.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.781 177.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.08 88.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.392 -0.367 . . . . 1.0 111.179 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.14 -42.68 36.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.343 0.592 . . . . 1.0 110.725 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' 1773 ' ' LEU . 51.4 tp -62.87 -36.46 83.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.443 -0.799 . . . . 1.0 110.387 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' 1673 ' ' ARG . 30.0 t-20 -62.8 -43.18 99.48 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.622 -0.717 . . . . 1.0 109.223 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 43.3 t -62.0 -37.07 83.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.254 -0.885 . . . . 1.0 110.919 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 60.3 m -68.94 -39.25 79.68 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.623 -0.51 . . . . 1.0 109.623 178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.472 -0.786 . . . . 1.0 110.671 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' 1669 ' ' ASN . 20.0 mmt180 -68.97 -37.8 79.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.09 -0.505 . . . . 1.0 111.114 -179.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -67.63 -43.45 80.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 1.0 110.331 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.665 ' HG ' HG23 ' A' 1742 ' ' THR . 51.9 mt -59.12 -34.14 71.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.713 -0.676 . . . . 1.0 111.524 179.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.37 -42.5 96.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.123 0.487 . . . . 1.0 110.763 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -72.81 -30.3 63.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.822 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.591 ' HA ' HD13 ' A' 1687 ' ' LEU . . . -60.61 -51.09 70.88 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 115.867 -0.606 . . . . 1.0 110.01 172.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.424 ' HA ' HD21 ' A' 1762 ' ' LEU . 28.8 t -54.65 -53.69 51.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.927 176.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 35.7 tp -57.76 -37.56 73.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.771 -0.65 . . . . 1.0 112.056 -177.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.94 -48.09 13.97 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.795 0.331 . . . . 1.0 111.431 179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.509 ' CB ' ' HB1' ' A' 1749 ' ' ALA . . . -66.72 -28.58 68.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.262 0.468 . . . . 1.0 112.262 -174.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 14.7 p -61.52 -26.34 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.131 0.491 . . . . 1.0 110.179 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 23.2 m -114.7 16.38 17.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.375 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 49.76 42.73 24.13 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.806 -0.634 . . . . 1.0 111.959 -177.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -110.98 17.1 20.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.272 177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' 1678 ' ' ALA . 60.6 tp -94.89 150.32 20.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.132 -173.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -57.96 146.57 67.72 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.507 174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.03 166.75 8.31 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.109 2.539 . . . . 1.0 113.108 -177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.891 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 0.4 OUTLIER -58.75 170.63 0.77 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 116.01 -0.541 . . . . 1.0 111.339 -179.057 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.46 ' HG3' ' HB3' ' A' 1743 ' ' LEU . 12.1 mm-40 -75.44 50.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.657 -178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . 50.22 57.14 10.6 Favored Glycine 0 C--N 1.336 0.563 0 CA-C-N 115.954 -0.566 . . . . 1.0 113.103 178.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.638 HG12 ' HB3' ' A' 1697 ' ' ALA . 15.8 tt -158.2 156.36 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.374 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 45.1 t -72.4 159.3 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.191 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.56 ' HA ' HD12 ' A' 1698 ' ' LEU . 6.6 tm0? -70.86 -34.01 71.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.208 -179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.464 ' O ' ' HB3' ' A' 1699 ' ' HIS . 43.0 mt-10 -59.55 -37.48 78.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.389 0.614 . . . . 1.0 109.92 175.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . 0.638 ' HB3' HG12 ' A' 1693 ' ' ILE . . . -77.04 -31.97 56.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.463 -0.789 . . . . 1.0 110.812 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1695 ' ' GLN . 87.4 mt -60.04 -44.51 94.62 Favored 'General case' 0 N--CA 1.464 0.226 0 N-CA-C 109.524 -0.547 . . . . 1.0 109.524 172.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' 1815 ' ' ASN . 5.8 t60 -50.63 -52.76 36.55 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.334 -0.848 . . . . 1.0 109.765 173.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 23.9 m -58.49 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.489 -0.778 . . . . 1.0 111.405 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -58.74 -55.95 28.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.517 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.59 ' O ' HG23 ' A' 1706 ' ' VAL . 81.2 mtp -66.88 -49.69 64.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.102 -0.499 . . . . 1.0 111.362 -173.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.502 HD23 HG23 ' A' 1811 ' ' THR . 2.6 tm? -58.58 -47.96 82.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.466 0.174 . . . . 1.0 110.558 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.495 ' O ' ' HG2' ' A' 1708 ' ' GLU . 82.3 m -59.52 -46.77 87.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.563 0.22 . . . . 1.0 110.824 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.548 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.03 -44.79 94.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 1.0 111.079 -178.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.774 HG12 HG13 ' A' 1807 ' ' VAL . 95.7 t -65.11 -39.44 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 1.0 110.524 -176.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.28 -46.17 81.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.77 178.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' 1704 ' ' THR . 35.9 mm-40 -58.49 -43.16 88.9 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.361 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.672 ' O ' HG13 ' A' 1713 ' ' ILE . 96.0 mt -62.92 -56.49 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.878 178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.528 ' HA ' HD12 ' A' 1713 ' ' ILE . 15.0 t -52.92 -42.51 65.46 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 120.973 0.416 . . . . 1.0 110.724 -177.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -60.7 -34.01 73.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.62 -0.718 . . . . 1.0 111.209 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.812 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.67 -17.46 25.46 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 121.224 -0.19 . . . . 1.0 111.439 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.818 HG22 HG23 ' A' 1800 ' ' VAL . 66.7 mt -60.93 -42.65 93.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.14 0.495 . . . . 1.0 110.113 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.454 ' HB2' ' CD ' ' A' 1715 ' ' PRO . 27.0 mt-10 -61.28 -56.87 29.94 Favored Pre-proline 0 CA--C 1.541 0.609 0 CA-C-N 115.536 -0.756 . . . . 1.0 111.661 -179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.454 ' CD ' ' HB2' ' A' 1714 ' ' GLU . 20.5 Cg_endo -61.6 -32.54 87.54 Favored 'Trans proline' 0 C--N 1.356 0.948 0 C-N-CA 122.189 1.926 . . . . 1.0 112.763 176.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.781 HD13 ' HE3' ' A' 1734 ' ' MET . 7.3 tt -64.13 -47.94 77.99 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.815 -0.439 . . . . 1.0 109.815 179.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -61.14 -44.05 97.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.998 0.428 . . . . 1.0 110.428 177.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 23.3 t -62.51 -33.53 75.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.069 177.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -76.06 -55.1 5.91 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.573 -0.285 . . . . 1.0 110.771 178.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.624 ' HA ' HD22 ' A' 1727 ' ' LEU . . . -52.13 -35.81 49.43 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.824 0.676 . . . . 1.0 112.824 -174.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -73.4 -13.55 61.1 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.836 0.68 . . . . 1.0 112.836 -174.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -150.69 -48.18 0.12 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.397 0.517 . . . . 1.0 112.397 -176.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' 1724 ' ' ALA . 0.2 OUTLIER -83.81 168.84 15.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.277 -176.906 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.454 ' H ' ' CD ' ' A' 1723 ' ' GLU . . . -139.02 -47.67 0.49 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.662 0.268 . . . . 1.0 111.661 -178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 17.8 m -60.81 -34.86 75.17 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.409 ' O ' ' HG2' ' A' 1730 ' ' LYS . 48.5 mt-30 -92.14 -27.71 17.55 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 121.276 0.56 . . . . 1.0 109.847 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.624 HD22 ' HA ' ' A' 1720 ' ' ALA . 16.5 tp -56.01 -47.98 76.77 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.816 -1.084 . . . . 1.0 111.433 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.79 -35.08 52.01 Favored Glycine 0 N--CA 1.452 -0.246 0 CA-C-N 115.759 -0.655 . . . . 1.0 112.58 178.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -78.9 -22.88 45.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.545 0.212 . . . . 1.0 111.467 -178.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.424 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 56.1 mmtt -72.04 -44.67 62.99 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.932 -0.766 . . . . 1.0 108.932 176.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.834 HG13 HD22 ' A' 1776 ' ' LEU . 58.8 t -61.8 -48.02 90.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 114.929 -1.032 . . . . 1.0 111.416 -176.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 10.1 p -59.61 -34.06 72.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.051 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -72.55 -47.52 47.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.984 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.812 ' HB2' HD11 ' A' 1712 ' ' LEU . 54.0 ttm -58.81 -50.3 74.48 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.742 0.306 . . . . 1.0 111.247 -174.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -66.64 -27.91 68.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.212 0.529 . . . . 1.0 110.399 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -65.38 -37.32 86.66 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.274 -0.875 . . . . 1.0 111.342 179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -78.63 -22.25 47.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.871 0.367 . . . . 1.0 110.95 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' 1709 ' ' ILE . 16.0 m-85 -72.07 -23.31 61.33 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.291 -0.413 . . . . 1.0 111.367 178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.423 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 33.1 tt0 -59.1 -59.19 14.67 Favored Pre-proline 0 CA--C 1.541 0.599 0 CA-C-N 116.735 -0.211 . . . . 1.0 110.996 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.423 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 17.6 Cg_endo -63.32 -34.27 67.56 Favored 'Trans proline' 0 C--N 1.36 1.165 0 C-N-CA 121.538 1.492 . . . . 1.0 112.05 177.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.459 HD23 ' HA ' ' A' 1741 ' ' LEU . 8.1 mt -58.27 -48.82 79.23 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 120.719 0.295 . . . . 1.0 110.748 178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.671 ' O ' HG23 ' A' 1746 ' ' VAL . 99.5 m -57.55 -53.25 60.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.43 176.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.46 ' HB3' ' HG3' ' A' 1691 ' ' GLU . 86.3 mt -61.32 -44.12 97.74 Favored 'General case' 0 N--CA 1.461 0.091 0 CA-C-O 120.901 0.381 . . . . 1.0 111.228 -178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -65.7 -39.55 91.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.95 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.69 83.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.951 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' 1742 ' ' THR . 42.8 t -64.43 -35.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.53 -0.545 . . . . 1.0 109.53 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.891 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -61.59 -51.31 58.47 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.853 -0.612 . . . . 1.0 112.006 173.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.648 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -59.75 -27.66 66.71 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 122.41 0.284 . . . . 1.0 111.755 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.509 ' HB1' ' CB ' ' A' 1682 ' ' ALA . . . -61.49 -54.49 42.69 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.131 0.491 . . . . 1.0 111.219 176.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 9.0 p -82.49 -28.18 31.32 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.103 0.477 . . . . 1.0 111.408 -177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.741 ' HB2' ' HB3' ' A' 1690 ' ' ARG . 56.5 tptt -72.6 -35.84 67.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.86 -178.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' 1748 ' ' ALA . 28.9 m -104.75 115.52 30.46 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.913 -177.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 11.2 mp -84.41 -13.76 51.29 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.135 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 39.6 t -68.14 91.86 0.38 Allowed 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.736 -0.665 . . . . 1.0 109.306 173.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.63 ' N ' ' HD2' ' A' 1756 ' ' PRO . 72.8 m80 -54.42 -44.28 98.68 Favored Pre-proline 0 CA--C 1.535 0.381 0 N-CA-C 113.663 0.986 . . . . 1.0 113.663 -172.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' 1755 ' ' HIS . 2.0 Cg_endo -45.53 -52.24 6.98 Favored 'Trans proline' 0 C--N 1.358 1.078 0 C-N-CA 122.669 2.246 . . . . 1.0 112.893 178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -82.88 -43.95 15.98 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 121.072 -0.251 . . . . 1.0 110.772 -177.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.45 HE21 ' HB1' ' A' 1682 ' ' ALA . 17.7 tt0 -46.11 -58.6 3.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.574 0.75 . . . . 1.0 111.727 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 94.3 mmm -76.15 -29.62 57.83 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.786 -0.643 . . . . 1.0 111.277 -174.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.94 -54.0 22.03 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.547 -0.461 . . . . 1.0 110.806 -178.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.648 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.7 pp -71.65 -28.29 63.65 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.185 -0.606 . . . . 1.0 110.404 -175.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' 1679 ' ' SER . 57.5 tp -64.02 -55.1 24.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 1.0 110.253 176.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.96 -26.17 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.912 -0.586 . . . . 1.0 111.206 -177.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.533 HE21 ' HA ' ' A' 1810 ' ' LEU . 24.3 mt-30 -72.05 -36.7 69.69 Favored 'General case' 0 C--N 1.329 -0.308 0 O-C-N 122.353 -0.217 . . . . 1.0 111.356 176.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 68.9 m -63.64 -39.73 95.09 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.775 0.798 . . . . 1.0 109.022 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.475 ' HA ' HD13 ' A' 1675 ' ' LEU . 26.3 tttm -64.31 -43.93 93.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.519 -1.219 . . . . 1.0 110.773 176.358 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 99.5 m -62.6 -41.7 99.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.807 174.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' 1806 ' ' ALA . 47.6 tp -63.74 -36.32 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.048 176.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -64.07 -37.95 89.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.761 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.88 -45.45 89.33 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.159 0.504 . . . . 1.0 110.317 175.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 22.8 t -64.79 -38.69 91.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.704 -0.68 . . . . 1.0 110.419 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.61 -36.17 78.3 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.626 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.402 HD11 HG23 ' A' 1665 ' ' ILE . 14.9 tp -62.43 -46.49 88.31 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.338 -0.615 . . . . 1.0 109.338 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -63.31 -38.11 89.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.388 175.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.718 HD11 HD22 ' A' 1716 ' ' LEU . 3.0 tm? -62.66 -52.2 64.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.015 -0.539 . . . . 1.0 109.944 178.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.834 HD22 HG13 ' A' 1731 ' ' VAL . 45.9 mt -64.39 -30.67 71.71 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.999 -0.28 . . . . 1.0 110.75 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -67.38 -48.56 67.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 120.692 0.282 . . . . 1.0 111.285 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 12.0 p -67.31 -33.47 75.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.915 0.388 . . . . 1.0 110.845 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.99 78.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.987 0.423 . . . . 1.0 110.211 174.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 80.1 tttt -62.4 -37.7 86.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.877 -0.601 . . . . 1.0 110.447 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.73 ' HB2' HG21 ' A' 1792 ' ' THR . 51.0 mt-10 -75.87 -56.06 5.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.872 -0.604 . . . . 1.0 111.798 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.797 ' HA ' ' HB2' ' A' 1789 ' ' ALA . . . -81.33 -17.17 50.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.563 0.579 . . . . 1.0 112.563 -170.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -48.91 96.24 0.01 OUTLIER Glycine 0 C--O 1.229 -0.186 0 O-C-N 124.131 0.894 . . . . 1.0 115.16 -170.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 87.55 8.85 73.19 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.986 -0.626 . . . . 1.0 112.378 170.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.406 ' HA ' ' HD2' ' A' 1786 ' ' PRO . 0.4 OUTLIER -153.95 95.03 2.83 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-O 121.474 0.655 . . . . 1.0 112.19 -179.534 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.469 ' HA ' HE21 ' A' 1793 ' ' GLN . 16.4 Cg_endo -61.08 -36.11 83.46 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.412 2.075 . . . . 1.0 111.692 175.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -74.83 -47.46 30.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.865 -0.607 . . . . 1.0 112.06 -176.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.88 -13.47 62.44 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.983 0.42 . . . . 1.0 110.808 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.797 ' HB2' ' HA ' ' A' 1782 ' ' ALA . . . -93.74 -84.35 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.462 174.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' 1792 ' ' THR . . . 60.79 128.47 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.398 0.679 . . . . 1.0 111.647 -176.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 69.8 t60 71.26 -33.29 0.27 Allowed 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.274 0.63 . . . . 1.0 110.57 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.73 HG21 ' HB2' ' A' 1781 ' ' GLU . 26.3 m -58.43 -33.58 69.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.508 0.67 . . . . 1.0 109.218 170.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.469 HE21 ' HA ' ' A' 1786 ' ' PRO . 85.1 mm-40 -55.9 -36.36 67.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.385 175.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -76.2 -42.19 47.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.566 -0.743 . . . . 1.0 110.556 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.55 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -71.76 -31.24 66.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.043 -0.526 . . . . 1.0 111.533 -176.497 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.436 HD21 ' HB3' ' A' 1720 ' ' ALA . 58.2 tp -64.49 -26.87 68.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.279 0.562 . . . . 1.0 109.54 174.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -77.77 -34.61 52.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.542 -0.754 . . . . 1.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.55 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.6 pt-20 -79.1 -32.12 44.52 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.533 -0.467 . . . . 1.0 110.143 179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.68 -46.29 79.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.319 178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.818 HG23 HG22 ' A' 1713 ' ' ILE . 7.5 p -63.25 -37.81 80.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 120.764 0.316 . . . . 1.0 110.763 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.9 -43.54 95.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.962 177.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' 1798 ' ' GLU . 66.2 mtt -66.62 -42.47 86.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.512 -177.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.717 ' HB3' HD13 ' A' 1713 ' ' ILE . 59.5 mtp -59.53 -50.99 71.78 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 120.355 -0.538 . . . . 1.0 109.88 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.406 ' O ' ' HB ' ' A' 1807 ' ' VAL . 71.7 m -54.0 -44.9 71.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.335 -179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -67.15 -35.17 79.14 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.614 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.5 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -77.1 -27.41 54.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.12 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.774 HG13 HG12 ' A' 1706 ' ' VAL . 42.8 t -58.03 -53.51 44.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.485 173.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.68 -38.99 92.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.446 176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 25.7 t0 -59.7 -55.41 34.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.18 -176.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.653 HD23 HG21 ' A' 1706 ' ' VAL . 18.6 tp -65.35 -43.09 91.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.715 -179.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.502 HG23 HD23 ' A' 1703 ' ' LEU . 27.8 m -56.21 -42.78 77.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 1.0 111.889 -177.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 28.9 m -61.2 -47.03 88.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.003 -0.279 . . . . 1.0 110.908 179.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 10.1 m -61.03 -37.96 84.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.475 179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' 1810 ' ' LEU . 96.1 mt -66.01 -49.14 68.79 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.129 177.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.699 ' HA ' ' CE1' ' A' 1699 ' ' HIS . 0.7 OUTLIER -68.71 -31.49 70.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.582 -0.735 . . . . 1.0 111.957 -175.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -73.92 -33.66 64.05 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.449 -0.574 . . . . 1.0 109.449 174.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -57.88 -15.48 8.74 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.566 -0.743 . . . . 1.0 112.143 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.73 -51.53 49.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.9 0.381 . . . . 1.0 110.452 175.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 19.9 p -105.85 -20.36 13.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.039 0.447 . . . . 1.0 111.105 174.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -85.55 -5.95 59.23 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.553 0.575 . . . . 1.0 112.553 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -130.78 -61.38 0.95 Allowed 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 120.887 -0.325 . . . . 1.0 111.829 -178.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.645 -1.086 . . . . 1.0 112.346 -177.671 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 25.0 pt -116.15 -164.17 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 110.457 -0.201 . . . . 1.0 110.457 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.08 123.04 85.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.457 -0.571 . . . . 1.0 109.457 174.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.541 ' O ' ' HG2' ' A' 1658 ' ' GLN . 23.8 Cg_exo -63.61 151.74 83.62 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 122.484 2.122 . . . . 1.0 111.553 178.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.532 ' CE2' ' HA ' ' A' 1781 ' ' GLU . 62.0 m-85 57.23 -118.46 1.13 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.336 0.398 . . . . 1.0 109.939 178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.431 HG23 ' O ' ' A' 1654 ' ' THR . 9.4 t -177.94 91.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.541 0.686 . . . . 1.0 112.194 178.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.452 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 178.83 162.27 0.69 Allowed Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 115.326 -0.852 . . . . 1.0 110.283 176.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.445 ' O ' ' HB1' ' A' 1724 ' ' ALA . 5.3 Cg_exo -76.71 108.7 2.71 Favored 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.75 2.3 . . . . 1.0 111.564 170.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 143.85 -32.11 1.83 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.274 -0.965 . . . . 1.0 111.912 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.541 ' HG2' ' O ' ' A' 1652 ' ' PRO . 13.8 mp0 -51.57 -44.05 62.63 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 122.577 0.351 . . . . 1.0 110.954 175.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 49.1 tp -62.81 -47.0 85.31 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.712 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.91 -34.03 74.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.782 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.561 ' HB2' ' HG3' ' A' 1780 ' ' LYS . 76.6 m -76.2 -41.57 49.05 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.66 -179.221 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -59.9 -46.05 90.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.66 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 15.3 t -69.86 -29.9 67.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 1.0 111.022 -178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -74.86 -38.43 61.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.913 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.488 HG23 HD11 ' A' 1773 ' ' LEU . 38.6 mt -57.17 -43.3 81.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.912 178.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -65.66 -32.33 73.83 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.839 0.352 . . . . 1.0 111.242 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.53 -42.39 35.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.225 0.536 . . . . 1.0 110.22 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.783 HD12 ' SG ' ' A' 1671 ' ' CYS . 42.7 tp -67.17 -32.37 73.41 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.554 -0.748 . . . . 1.0 110.084 177.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -63.79 -38.88 92.76 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.67 0.748 . . . . 1.0 109.517 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 23.8 t -65.13 -40.2 94.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.656 -1.156 . . . . 1.0 110.88 -178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.783 ' SG ' HD12 ' A' 1668 ' ' LEU . 20.5 p -74.94 -25.49 58.92 Favored 'General case' 0 CA--C 1.523 -0.072 0 C-N-CA 120.54 -0.464 . . . . 1.0 109.918 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.534 HD12 ' HG3' ' A' 1766 ' ' LYS . 40.7 tp -67.37 -47.04 71.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.951 -0.568 . . . . 1.0 109.923 176.304 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -58.91 -41.82 88.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.6 -0.727 . . . . 1.0 110.255 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.04 -51.56 63.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.467 -0.788 . . . . 1.0 110.767 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.69 ' HG ' HG23 ' A' 1742 ' ' THR . 35.7 mt -62.13 -35.29 78.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 1.0 111.372 178.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 6.5 t70 -59.61 -45.14 92.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.284 0.564 . . . . 1.0 110.334 177.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 32.0 mm-40 -73.08 -27.4 61.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.756 -0.657 . . . . 1.0 110.667 -179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -65.27 -46.15 81.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.604 175.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.584 ' HA ' HD21 ' A' 1762 ' ' LEU . 15.9 t -58.43 -43.58 88.79 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.988 0.423 . . . . 1.0 110.071 176.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.417 ' O ' HG12 ' A' 1683 ' ' VAL . 58.7 tp -66.2 -33.0 74.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 1.0 111.42 178.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -79.51 -42.31 25.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.741 0.305 . . . . 1.0 111.326 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.712 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.304 -0.407 . . . . 1.0 112.009 -175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.417 HG12 ' O ' ' A' 1680 ' ' LEU . 10.2 p -58.94 -29.41 40.85 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 120.88 0.371 . . . . 1.0 111.19 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 44.5 m -115.63 14.08 16.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.605 -0.271 . . . . 1.0 111.027 177.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 54.51 36.62 26.16 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.372 0.508 . . . . 1.0 112.372 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -95.99 9.93 39.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.159 0.504 . . . . 1.0 110.397 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.508 HD21 HG13 ' A' 1746 ' ' VAL . 22.7 tp -100.33 138.28 37.61 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.748 -0.66 . . . . 1.0 110.455 -174.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.496 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -68.14 124.96 90.9 Favored Pre-proline 0 N--CA 1.464 0.238 0 CA-C-N 116.517 -0.31 . . . . 1.0 110.809 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 38.8 Cg_exo -59.96 101.98 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.595 2.863 . . . . 1.0 114.443 -171.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.676 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 27.5 tpt180 58.66 130.25 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 114.54 1.311 . . . . 1.0 114.54 174.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.577 ' CD ' ' H ' ' A' 1691 ' ' GLU . 16.1 mp0 -51.48 -45.79 62.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 114.306 -1.316 . . . . 1.0 110.032 172.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.442 ' N ' ' HG3' ' A' 1690 ' ' ARG . . . 159.49 89.43 0.07 OUTLIER Glycine 0 CA--C 1.521 0.453 0 C-N-CA 120.91 -0.662 . . . . 1.0 113.304 176.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.596 ' HB ' HH21 ' A' 1690 ' ' ARG . 3.0 tp -176.72 161.95 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 N-CA-C 110.008 -0.367 . . . . 1.0 110.008 172.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.432 ' O ' HG23 ' A' 1693 ' ' ILE . 35.0 t -70.37 161.54 30.28 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.97 0.414 . . . . 1.0 111.302 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.412 ' O ' ' HB2' ' A' 1698 ' ' LEU . 25.6 tp60 -65.84 -45.8 80.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.289 -0.414 . . . . 1.0 111.181 -178.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.626 ' HA ' ' ND1' ' A' 1699 ' ' HIS . 1.5 mp0 -67.74 -31.58 71.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.91 0.386 . . . . 1.0 110.08 176.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.58 -37.83 87.76 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.85 -0.614 . . . . 1.0 109.821 176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.587 HD21 ' HD3' ' A' 1690 ' ' ARG . 40.1 mt -58.77 -41.06 85.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.978 174.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.626 ' ND1' ' HA ' ' A' 1696 ' ' GLU . 16.8 m170 -59.78 -48.89 79.86 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.688 -0.486 . . . . 1.0 109.688 179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 27.4 m -73.79 -45.49 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.048 -176.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -54.52 -43.99 72.38 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.115 0.483 . . . . 1.0 110.757 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.606 ' O ' HG23 ' A' 1706 ' ' VAL . 69.5 mmm -65.18 -55.75 16.77 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.416 -0.811 . . . . 1.0 110.231 176.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.702 HD23 HG23 ' A' 1811 ' ' THR . 2.2 tm? -54.62 -42.93 71.78 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.494 -0.776 . . . . 1.0 111.505 -176.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . 0.479 ' HA ' HE21 ' A' 1707 ' ' GLN . 89.3 m -62.46 -43.23 99.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.689 0.255 . . . . 1.0 111.689 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.533 ' O ' HG13 ' A' 1709 ' ' ILE . . . -68.79 -45.19 71.95 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.56 0.219 . . . . 1.0 111.109 -178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.763 HG12 HG13 ' A' 1807 ' ' VAL . 58.0 t -56.48 -40.93 70.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.157 -0.474 . . . . 1.0 111.328 -176.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' 1703 ' ' LEU . 48.6 mt-30 -59.28 -51.77 68.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.995 178.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -56.17 -39.9 73.08 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.683 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.765 ' O ' HG13 ' A' 1713 ' ' ILE . 63.8 mt -63.2 -59.85 3.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.555 -0.748 . . . . 1.0 110.913 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.618 ' HB2' HG11 ' A' 1807 ' ' VAL . 15.3 t -57.24 -38.44 73.83 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 121.162 0.506 . . . . 1.0 110.328 -176.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -61.76 -30.88 71.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.041 -0.981 . . . . 1.0 110.857 179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.793 HD11 ' HB2' ' A' 1734 ' ' MET . 1.1 pp -93.07 -20.7 20.28 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 111.622 0.231 . . . . 1.0 111.622 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.894 HG22 HG23 ' A' 1800 ' ' VAL . 65.5 mt -61.57 -47.65 92.39 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 CA-C-O 120.572 0.225 . . . . 1.0 111.273 -175.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.447 ' N ' ' HD2' ' A' 1715 ' ' PRO . 44.7 mt-10 -60.91 -54.65 52.37 Favored Pre-proline 0 CA--C 1.54 0.561 0 CA-C-N 116.604 -0.271 . . . . 1.0 111.549 -179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' 1714 ' ' GLU . 20.8 Cg_endo -60.26 -26.28 82.23 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 122.268 1.979 . . . . 1.0 112.696 176.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.878 HD13 ' HE3' ' A' 1734 ' ' MET . 9.6 tt -67.34 -47.0 71.76 Favored 'General case' 0 C--O 1.224 -0.251 0 N-CA-C 109.743 -0.465 . . . . 1.0 109.743 176.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -57.86 -40.03 79.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.943 0.401 . . . . 1.0 110.607 178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 47.7 t -62.18 -48.22 81.02 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.733 -0.667 . . . . 1.0 110.879 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.25 80.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.281 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . 0.573 ' HB3' HD21 ' A' 1796 ' ' LEU . . . -54.54 -42.63 71.14 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 116.088 -0.506 . . . . 1.0 112.209 -175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -80.42 -11.86 59.64 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 112.834 0.679 . . . . 1.0 112.834 -175.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -141.23 -68.68 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.524 0.564 . . . . 1.0 112.524 -176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.411 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 3.5 mp0 -76.63 91.03 3.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.991 0.424 . . . . 1.0 111.79 -175.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.723 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -61.09 -50.36 73.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.731 -0.668 . . . . 1.0 111.823 -179.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 19.7 m -57.63 -32.35 67.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.541 . . . . 1.0 111.276 -177.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.518 ' HB3' ' HE3' ' A' 1730 ' ' LYS . 18.7 mm-40 -81.23 -39.66 25.0 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 109.424 -0.584 . . . . 1.0 109.424 -178.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' 1720 ' ' ALA . 1.9 tp -51.09 -53.17 36.5 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.897 -1.047 . . . . 1.0 111.801 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -52.75 -35.58 47.08 Favored Glycine 0 C--N 1.329 0.162 0 C-N-CA 120.999 -0.619 . . . . 1.0 112.035 178.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 45.3 m80 -70.15 -37.48 75.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.685 -0.257 . . . . 1.0 110.995 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.536 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 14.5 mmtp -68.73 -47.88 65.2 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.054 0.454 . . . . 1.0 109.777 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.502 HG13 HD22 ' A' 1776 ' ' LEU . 84.1 t -58.13 -44.67 88.0 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 115.409 -0.814 . . . . 1.0 111.258 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 43.6 m -56.43 -38.46 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.844 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -74.25 -49.37 23.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.97 -0.559 . . . . 1.0 111.107 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.878 ' HE3' HD13 ' A' 1716 ' ' LEU . 51.3 ttm -57.33 -45.79 83.92 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.486 -175.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.94 -33.16 73.27 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.763 0.792 . . . . 1.0 109.823 -176.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -61.95 -42.25 98.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.512 -1.222 . . . . 1.0 111.356 178.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -72.44 -22.88 61.02 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.662 0.268 . . . . 1.0 111.674 -176.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.594 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.0 m-85 -73.86 -22.85 59.6 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 111.706 0.262 . . . . 1.0 111.706 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -60.72 -58.15 21.34 Favored Pre-proline 0 CA--C 1.539 0.522 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.288 177.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -60.14 -39.15 71.73 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.543 1.495 . . . . 1.0 112.035 177.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.498 HD21 ' HB3' ' A' 1705 ' ' ALA . 15.5 mt -58.91 -44.29 91.22 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.649 0.262 . . . . 1.0 110.801 178.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.712 ' O ' HG23 ' A' 1746 ' ' VAL . 54.5 m -55.02 -57.55 11.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.268 176.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.84 -44.05 97.16 Favored 'General case' 0 C--O 1.223 -0.318 0 CA-C-O 120.648 0.261 . . . . 1.0 111.212 -178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.449 ' HB3' ' SD ' ' A' 1702 ' ' MET . . . -60.61 -40.47 91.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.919 0.39 . . . . 1.0 110.764 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' 1762 ' ' LEU . . . -69.89 -44.77 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 1.0 111.114 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' 1742 ' ' THR . 53.1 t -62.15 -33.64 59.6 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.216 0 CA-C-O 121.077 0.465 . . . . 1.0 109.821 178.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.676 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -65.29 -48.02 73.9 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.97 -0.559 . . . . 1.0 112.294 174.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.573 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -61.98 -34.12 75.57 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 120.818 0.342 . . . . 1.0 110.771 177.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.712 ' HB1' ' HB2' ' A' 1682 ' ' ALA . . . -55.43 -53.18 59.5 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.473 0.654 . . . . 1.0 111.466 176.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.44 ' HB2' ' HA ' ' A' 1689 ' ' PRO . 5.9 p -82.5 -30.69 29.7 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.871 -0.604 . . . . 1.0 112.409 -174.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 54.1 tttp -90.79 -37.2 13.8 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.52 0.563 . . . . 1.0 112.52 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.46 HG23 ' HB1' ' A' 1821 ' ' ALA . 95.8 m -78.96 112.84 16.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.19 0.519 . . . . 1.0 110.832 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' 1753 ' ' LEU . 5.1 tt -72.98 -31.73 64.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.708 -0.678 . . . . 1.0 110.019 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 14.9 m -64.68 95.77 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.464 177.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.612 ' N ' ' HD2' ' A' 1756 ' ' PRO . 93.1 m-70 -59.86 -47.6 96.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 113.355 0.872 . . . . 1.0 113.355 -170.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.612 ' HD2' ' N ' ' A' 1755 ' ' HIS . 3.3 Cg_endo -46.14 -45.73 17.59 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.715 2.277 . . . . 1.0 113.043 -179.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . 0.443 ' NE2' ' HB2' ' A' 1756 ' ' PRO . 2.4 mp0 -86.73 -41.58 14.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.569 0.224 . . . . 1.0 111.163 -178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.59 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.1 tt0 -51.13 -57.83 7.7 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.726 -0.67 . . . . 1.0 111.422 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . 0.425 ' HG3' ' OE1' ' A' 1758 ' ' GLN . 52.3 mtp -74.29 -28.63 61.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.419 -0.355 . . . . 1.0 111.457 -177.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -67.38 -53.94 24.88 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.476 -0.489 . . . . 1.0 111.22 -178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.573 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.3 pp -70.18 -28.94 65.71 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.941 -177.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.614 HD13 ' HB2' ' A' 1749 ' ' ALA . 36.9 tp -61.87 -56.81 15.45 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.687 175.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 3.7 t70 -71.51 -30.83 66.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.669 -0.696 . . . . 1.0 110.616 -175.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -71.71 -30.97 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.488 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 90.4 m -64.63 -42.08 95.74 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.224 -0.658 . . . . 1.0 109.224 173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.588 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 46.3 tttm -62.02 -43.71 98.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.214 -0.903 . . . . 1.0 110.394 174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 90.1 m -61.47 -39.09 89.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.741 176.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.484 ' HG ' ' CE2' ' A' 1738 ' ' PHE . 56.3 tp -67.3 -36.49 81.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.194 176.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -61.77 -41.72 98.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.313 175.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -64.99 -40.13 94.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.388 175.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 39.2 m -62.3 -41.07 98.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.357 176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -71.06 -33.56 70.38 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.791 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' 1777 ' ' TYR . 18.3 tp -67.45 -43.18 81.72 Favored 'General case' 0 N--CA 1.447 -0.599 0 N-CA-C 109.433 -0.58 . . . . 1.0 109.433 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -57.02 -37.66 72.03 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.306 0.574 . . . . 1.0 109.683 173.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.741 HD11 HD22 ' A' 1716 ' ' LEU . 3.4 tm? -67.29 -53.75 26.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.249 -0.887 . . . . 1.0 110.335 177.27 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.502 HD22 HG13 ' A' 1731 ' ' VAL . 35.5 mt -61.49 -34.94 76.34 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 121.186 -0.205 . . . . 1.0 111.354 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' 1773 ' ' LEU . 8.7 m-85 -59.19 -47.92 83.54 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.721 0.296 . . . . 1.0 111.12 176.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 10.0 p -76.0 -36.07 59.32 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.182 -178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -64.74 -31.38 72.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.028 178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.561 ' HG3' ' HB2' ' A' 1661 ' ' CYS . 32.5 ttpt -67.74 -40.82 84.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 1.0 110.306 178.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.532 ' HA ' ' CE2' ' A' 1653 ' ' PHE . 22.1 tt0 -75.28 -51.26 13.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.92 -178.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.509 ' HB2' HG22 ' A' 1792 ' ' THR . . . -79.72 -16.08 56.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.376 -0.375 . . . . 1.0 111.54 -174.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . 0.49 ' CA ' HD22 ' A' 1727 ' ' LEU . . . -48.38 95.98 0.01 OUTLIER Glycine 0 C--N 1.333 0.404 0 O-C-N 124.261 0.976 . . . . 1.0 114.689 -171.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.723 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 64.85 16.44 61.58 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.929 -0.469 . . . . 1.0 111.929 178.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.704 HD21 ' HB3' ' A' 1788 ' ' GLN . 29.9 t30 -127.92 80.01 72.79 Favored Pre-proline 0 C--N 1.319 -0.737 0 N-CA-C 109.444 -0.576 . . . . 1.0 109.444 -176.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -71.62 -30.37 14.87 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.669 2.246 . . . . 1.0 112.831 -173.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.6 ' HG2' ' H ' ' A' 1788 ' ' GLN . 0.0 OUTLIER -66.81 -56.86 8.54 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.784 -0.366 . . . . 1.0 110.953 -178.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.704 ' HB3' HD21 ' A' 1785 ' ' ASN . 0.0 OUTLIER -88.43 60.6 5.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.825 -0.806 . . . . 1.0 108.825 178.229 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.423 ' O ' ' HG2' ' A' 1793 ' ' GLN . . . -144.71 17.3 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.018 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' A' 1791 ' ' HIS . . . -71.33 129.57 39.17 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . 0.486 ' HA ' ' OE2' ' A' 1794 ' ' GLU . 6.4 m-70 75.47 -9.06 1.47 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 1.0 110.524 -172.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.509 HG22 ' HB2' ' A' 1782 ' ' ALA . 63.3 m -92.68 -36.8 12.75 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.243 -0.889 . . . . 1.0 108.841 175.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.431 ' OE1' ' HA ' ' A' 1793 ' ' GLN . 15.3 mm-40 -59.86 -41.37 91.31 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.106 -0.952 . . . . 1.0 110.454 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' 1791 ' ' HIS . 2.4 mp0 -70.42 -42.11 72.03 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.714 -0.676 . . . . 1.0 110.596 177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.559 ' HA ' ' HG2' ' A' 1798 ' ' GLU . . . -73.66 -29.28 62.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.938 0.399 . . . . 1.0 111.689 -176.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . 0.573 HD21 ' HB3' ' A' 1720 ' ' ALA . 55.9 tp -62.37 -32.54 73.36 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.228 0.537 . . . . 1.0 109.615 174.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.451 ' HA ' HG12 ' A' 1800 ' ' VAL . 37.3 mt-10 -79.67 -29.96 41.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 1.0 111.528 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.559 ' HG2' ' HA ' ' A' 1795 ' ' ALA . 12.9 pt-20 -77.91 -22.45 49.64 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.18 -0.608 . . . . 1.0 109.762 176.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -78.0 -43.01 30.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.16 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.894 HG23 HG22 ' A' 1713 ' ' ILE . 7.9 p -61.67 -40.27 86.14 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.844 0.354 . . . . 1.0 110.866 179.638 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -76.72 -29.04 56.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.958 0.408 . . . . 1.0 110.557 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.423 ' HB2' ' O ' ' A' 1798 ' ' GLU . 26.2 ttt -61.5 -44.9 96.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.303 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.738 ' HB3' HD13 ' A' 1713 ' ' ILE . 65.7 mtp -63.68 -53.15 55.77 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.017 -0.538 . . . . 1.0 111.173 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 2.9 t -61.87 -25.35 67.49 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.776 0.322 . . . . 1.0 110.914 -174.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' 1808 ' ' GLU . 36.3 tt0 -68.86 -47.41 65.99 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 121.048 0.452 . . . . 1.0 110.165 173.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.43 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -68.82 -27.76 66.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.912 0.387 . . . . 1.0 110.313 177.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.763 HG13 HG12 ' A' 1706 ' ' VAL . 38.7 t -60.93 -55.18 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.68 -0.691 . . . . 1.0 111.327 177.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' 1805 ' ' GLU . 11.5 pt-20 -63.23 -34.08 76.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.597 0.713 . . . . 1.0 109.822 179.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 27.8 t70 -71.38 -46.16 61.06 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.768 -1.106 . . . . 1.0 110.858 -173.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.489 HD21 ' HE1' ' A' 1702 ' ' MET . 20.8 tp -65.82 -48.25 72.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.845 177.147 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.702 HG23 HD23 ' A' 1703 ' ' LEU . 48.1 m -55.24 -40.75 71.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.661 -0.7 . . . . 1.0 111.456 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.411 ' O ' ' HG2' ' A' 1816 ' ' GLU . 89.9 m -59.32 -51.17 71.09 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.22 -0.192 . . . . 1.0 110.513 177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.0 m -58.13 -39.33 78.46 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 121.141 0.496 . . . . 1.0 110.728 179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.515 HD23 HD22 ' A' 1761 ' ' LEU . 83.2 mt -67.76 -46.44 72.06 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.425 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.491 HD21 ' HG ' ' A' 1703 ' ' LEU . 0.9 OUTLIER -72.97 -22.77 60.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.135 -178.322 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 1812 ' ' THR . 13.0 mm-40 -73.18 -48.68 33.26 Favored 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 108.201 -1.037 . . . . 1.0 108.201 171.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -57.12 -15.97 6.64 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 114.936 -1.029 . . . . 1.0 112.521 -177.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -56.17 -44.62 79.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.108 0.48 . . . . 1.0 110.138 174.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 36.6 t -105.32 -28.12 11.1 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.791 -0.64 . . . . 1.0 110.218 176.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -80.4 -12.08 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.754 . . . . 1.0 112.269 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.46 ' HB1' HG23 ' A' 1752 ' ' THR . . . -156.32 79.3 0.96 Allowed 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.89 0.376 . . . . 1.0 110.939 -178.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.259 -1.301 . . . . 1.0 111.612 -178.369 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.812 -0.515 . . . . 1.0 111.812 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 5.7 tp -110.03 88.9 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.854 0.835 . . . . 1.0 110.072 178.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . 0.407 ' OD1' ' NZ ' ' A' 1780 ' ' LYS . 27.3 t70 -116.39 117.67 38.26 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.421 -0.809 . . . . 1.0 110.35 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.72 -169.64 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.224 0 C-N-CA 122.795 2.33 . . . . 1.0 112.153 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.635 ' HA ' HE22 ' A' 1788 ' ' GLN . 16.4 m-85 65.98 -172.22 0.19 Allowed 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 109.748 -0.464 . . . . 1.0 109.748 178.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 2.6 t -156.48 99.53 1.9 Allowed 'General case' 0 C--N 1.309 -1.173 0 CA-C-O 121.058 0.456 . . . . 1.0 111.806 -178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.429 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . 176.65 159.82 0.47 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.173 -0.921 . . . . 1.0 109.779 177.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . 0.416 ' HD2' ' HB1' ' A' 1724 ' ' ALA . 5.5 Cg_exo -76.18 116.2 4.31 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.604 2.203 . . . . 1.0 111.406 170.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 135.05 -25.15 3.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.024 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.56 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 8.9 mp0 -53.7 -35.11 60.77 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.832 0.453 . . . . 1.0 111.285 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 53.5 tp -68.46 -45.7 71.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.352 -0.385 . . . . 1.0 111.176 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' 1660 ' ' GLU . 5.4 mm-40 -66.7 -25.76 66.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.091 0.472 . . . . 1.0 110.882 -178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 61.7 m -76.11 -33.37 59.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.917 -0.583 . . . . 1.0 109.556 174.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -67.39 -45.51 76.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.518 -0.764 . . . . 1.0 110.058 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 22.2 p -66.56 -44.98 80.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.267 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -65.03 -41.66 95.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 1.0 111.618 -177.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 25.8 mt -57.57 -40.77 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.559 -0.291 . . . . 1.0 111.362 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -66.49 -35.77 81.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.846 0.355 . . . . 1.0 111.291 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -77.3 -41.83 39.25 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.351 0.596 . . . . 1.0 110.247 -178.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 41.8 tp -66.18 -32.77 74.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.395 -0.821 . . . . 1.0 110.069 177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.58 ' O ' ' HG3' ' A' 1673 ' ' ARG . 10.3 t-20 -60.84 -42.56 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.708 -0.678 . . . . 1.0 109.6 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 41.0 t -63.52 -42.35 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.385 -0.825 . . . . 1.0 110.549 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.612 ' HB3' ' OG1' ' A' 1742 ' ' THR . 66.0 m -62.38 -41.02 98.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.069 0.461 . . . . 1.0 109.852 179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 47.6 tp -59.57 -44.33 93.33 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.447 -0.797 . . . . 1.0 110.698 176.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' 1669 ' ' ASN . 17.0 mtp180 -68.39 -43.01 78.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.467 . . . . 1.0 111.088 -178.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -61.77 -39.66 92.42 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.814 0.34 . . . . 1.0 110.806 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.784 ' HG ' HG23 ' A' 1742 ' ' THR . 57.6 mt -65.85 -32.49 74.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 1.0 111.264 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -76.53 -33.04 58.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.82 0.819 . . . . 1.0 109.223 -178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.38 -46.17 61.01 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-N 114.343 -1.299 . . . . 1.0 109.774 179.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' 1746 ' ' VAL . . . -57.75 -42.9 84.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.592 -0.731 . . . . 1.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.501 ' O ' HG23 ' A' 1683 ' ' VAL . 32.8 t -61.31 -47.01 87.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.039 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 57.2 tp -58.98 -45.49 90.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.065 0.459 . . . . 1.0 110.708 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.546 ' HB3' HD23 ' A' 1687 ' ' LEU . . . -71.03 -26.9 63.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.112 -0.495 . . . . 1.0 111.25 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . 0.521 ' HB2' ' HB1' ' A' 1749 ' ' ALA . . . -75.68 -22.45 56.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.524 -0.307 . . . . 1.0 111.196 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1679 ' ' SER . 98.2 t -64.39 -40.97 90.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.43 -0.581 . . . . 1.0 109.43 172.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 16.3 m -85.82 -10.12 55.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.375 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 63.27 25.95 14.93 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.516 -0.765 . . . . 1.0 111.327 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -103.86 18.97 20.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.372 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.546 HD23 ' HB3' ' A' 1681 ' ' ALA . 2.5 tm? -81.37 133.35 35.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.476 -0.783 . . . . 1.0 109.573 -178.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.483 ' O ' HD13 ' A' 1687 ' ' LEU . . . -79.3 144.72 62.77 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.774 -0.193 . . . . 1.0 111.516 -178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.74 163.34 5.6 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.229 2.619 . . . . 1.0 112.694 -178.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.92 ' HD3' ' H ' ' A' 1692 ' ' GLY . 0.0 OUTLIER -79.24 -172.01 2.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.777 -173.184 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -39.99 -52.45 2.46 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.062 0.851 . . . . 1.0 111.708 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.92 ' H ' ' HD3' ' A' 1690 ' ' ARG . . . 145.59 99.93 0.27 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.919 -0.658 . . . . 1.0 112.39 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.556 HG22 ' HD2' ' A' 1690 ' ' ARG . 10.0 tp -169.93 157.92 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 N-CA-C 110.218 -0.29 . . . . 1.0 110.218 173.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 16.0 m -62.95 157.04 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.923 -176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.466 ' O ' ' HB2' ' A' 1698 ' ' LEU . 23.2 tp60 -65.63 -43.74 88.58 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.483 -176.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . 0.716 ' HA ' ' CD2' ' A' 1699 ' ' HIS . 1.1 mp0 -68.96 -33.98 74.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.402 . . . . 1.0 109.916 177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -65.05 -35.85 82.47 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.688 175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' 1695 ' ' GLN . 54.5 mt -60.53 -44.52 95.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.761 173.333 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . 0.716 ' CD2' ' HA ' ' A' 1696 ' ' GLU . 37.1 m-70 -59.25 -44.86 92.37 Favored 'General case' 0 N--CA 1.462 0.17 0 N-CA-C 109.683 -0.488 . . . . 1.0 109.683 179.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 33.2 m -70.39 -42.95 71.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.669 -0.696 . . . . 1.0 111.581 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -59.5 -51.72 68.67 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.612 0.244 . . . . 1.0 110.73 -177.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.707 ' HE3' HD21 ' A' 1814 ' ' LEU . 36.2 mmm -55.74 -53.37 57.49 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.39 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . 0.798 HD22 HD21 ' A' 1815 ' ' ASN . 45.9 tp -56.18 -50.16 71.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.963 -0.562 . . . . 1.0 111.389 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 30.1 m -60.47 -45.76 92.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.187 -177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.571 ' O ' HG13 ' A' 1709 ' ' ILE . . . -60.72 -47.39 86.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.855 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.791 HG12 HG13 ' A' 1807 ' ' VAL . 87.0 t -64.64 -35.79 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.616 -175.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . 0.454 ' NE2' ' HG ' ' A' 1703 ' ' LEU . 47.8 mt-30 -60.87 -51.6 68.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.779 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -62.38 -38.19 88.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.7 179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.752 ' O ' HG13 ' A' 1713 ' ' ILE . 95.6 mt -58.72 -56.62 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.187 175.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.462 ' HB2' HG11 ' A' 1807 ' ' VAL . 20.7 t -53.42 -42.93 67.55 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-O 121.013 0.435 . . . . 1.0 110.637 -179.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 25.1 t-80 -62.51 -31.18 71.9 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.519 -0.764 . . . . 1.0 111.239 -179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.895 HD11 ' HB2' ' A' 1734 ' ' MET . 1.0 OUTLIER -92.42 -18.49 23.19 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 120.964 -0.294 . . . . 1.0 111.443 179.579 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.827 HG22 HG23 ' A' 1800 ' ' VAL . 61.2 mt -61.01 -47.04 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 O-C-N 122.435 -0.165 . . . . 1.0 110.872 -177.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.406 ' N ' ' HD2' ' A' 1715 ' ' PRO . 40.4 mt-10 -59.02 -56.23 38.35 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 121.01 -0.276 . . . . 1.0 111.568 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.409 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.6 Cg_endo -60.95 -26.31 82.95 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.178 1.918 . . . . 1.0 113.138 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.812 HD22 HD11 ' A' 1775 ' ' LEU . 6.6 tt -71.32 -43.74 66.48 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.546 -0.539 . . . . 1.0 109.546 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -58.82 -43.25 90.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.116 0.484 . . . . 1.0 110.109 176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 10.3 t -66.14 -30.47 70.97 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.778 176.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.642 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -75.72 -47.41 26.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.975 0.417 . . . . 1.0 110.793 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.11 -33.28 68.96 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.028 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -84.98 -11.59 55.14 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 111.919 0.34 . . . . 1.0 111.919 -177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -156.53 -61.0 0.1 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.092 0.775 . . . . 1.0 113.092 -177.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.642 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 60.0 mt-10 -68.88 92.85 0.52 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 122.321 0.248 . . . . 1.0 111.584 -175.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.571 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -73.35 -51.45 17.36 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.081 0.467 . . . . 1.0 111.301 -177.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 22.2 t -67.91 -22.45 65.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.649 -174.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.477 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 52.5 mt-30 -95.62 -25.1 16.28 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.533 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.37 -51.01 63.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.209 -0.905 . . . . 1.0 111.403 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -54.79 -34.25 56.63 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 121.025 -0.607 . . . . 1.0 112.314 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 70.4 t60 -73.68 -31.13 63.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.67 0.271 . . . . 1.0 110.731 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.566 ' HB2' ' HG ' ' A' 1716 ' ' LEU . 14.6 mmtp -72.42 -48.36 41.82 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.0 -0.741 . . . . 1.0 109.0 176.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.414 HG13 HD22 ' A' 1776 ' ' LEU . 86.9 t -59.01 -45.97 91.95 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.27 -0.877 . . . . 1.0 111.404 -177.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 31.6 t -56.48 -39.14 72.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.012 0.434 . . . . 1.0 110.542 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.69 ' O ' ' HG2' ' A' 1736 ' ' GLN . 50.6 mt-30 -72.64 -45.32 59.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.146 -0.479 . . . . 1.0 111.421 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.895 ' HB2' HD11 ' A' 1712 ' ' LEU . 53.6 ttm -60.72 -44.2 96.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.867 0.365 . . . . 1.0 110.578 -178.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.43 -33.13 73.66 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.93 -177.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.69 ' HG2' ' O ' ' A' 1733 ' ' GLN . 14.4 pt20 -71.02 -32.28 69.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.064 -175.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' A' 1741 ' ' LEU . 41.2 m-85 -75.1 -31.24 61.12 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.542 0.21 . . . . 1.0 111.452 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.571 ' CE1' HD13 ' A' 1709 ' ' ILE . 14.4 m-85 -69.51 -23.3 63.59 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.795 0.295 . . . . 1.0 111.795 -178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.452 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 44.5 tt0 -62.29 -59.06 14.02 Favored Pre-proline 0 CA--C 1.545 0.754 0 CA-C-O 119.61 -0.233 . . . . 1.0 111.086 177.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 15.7 Cg_endo -63.65 -37.68 45.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 C-N-CA 121.68 1.587 . . . . 1.0 112.052 173.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.614 HD22 HG23 ' A' 1765 ' ' THR . 0.5 OUTLIER -53.32 -54.08 41.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.131 0.491 . . . . 1.0 110.016 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.784 HG23 ' HG ' ' A' 1675 ' ' LEU . 36.4 m -53.37 -56.09 19.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.495 -0.775 . . . . 1.0 111.342 177.02 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 84.3 mt -68.78 -28.56 66.89 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.661 0.267 . . . . 1.0 111.612 -174.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -68.94 -41.26 78.28 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.978 -0.378 . . . . 1.0 109.978 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -67.3 -45.44 76.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.816 176.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' 1742 ' ' THR . 82.6 t -57.83 -34.84 49.23 Favored 'Isoleucine or valine' 0 C--O 1.232 0.178 0 CA-C-O 121.263 0.554 . . . . 1.0 109.85 176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.563 ' CA ' ' HB3' ' A' 1690 ' ' ARG . . . -59.95 -48.32 86.65 Favored Glycine 0 N--CA 1.446 -0.7 0 CA-C-N 115.61 -0.723 . . . . 1.0 111.945 175.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.47 ' HB3' HD11 ' A' 1761 ' ' LEU . . . -57.0 -39.62 75.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.313 0.102 . . . . 1.0 111.125 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.811 ' HB2' HD22 ' A' 1762 ' ' LEU . . . -53.97 -44.34 70.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.376 0.607 . . . . 1.0 111.769 178.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.7 t -84.02 -40.12 18.79 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-O 121.604 0.716 . . . . 1.0 111.867 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . 0.509 ' HE2' ' O ' ' A' 1693 ' ' ILE . 60.7 tttp -90.95 -32.14 16.08 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.053 -0.976 . . . . 1.0 112.698 -163.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . 0.59 HG23 ' HB1' ' A' 1821 ' ' ALA . 97.3 m -73.14 144.29 46.98 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.699 -0.228 . . . . 1.0 110.393 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 8.4 mp -98.72 -16.27 19.04 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.119 -0.363 . . . . 1.0 111.23 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 3.3 p -89.56 101.05 13.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.247 0.546 . . . . 1.0 109.616 174.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . 0.615 ' HA ' ' OE1' ' A' 1758 ' ' GLN . 19.3 t-80 -55.73 -50.68 85.66 Favored Pre-proline 0 CA--C 1.538 0.5 0 CA-C-N 115.296 -0.866 . . . . 1.0 112.566 -172.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' 1755 ' ' HIS . 17.6 Cg_endo -57.08 -42.76 60.33 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.17 1.913 . . . . 1.0 112.777 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -62.23 -51.22 68.64 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.111 0.482 . . . . 1.0 110.849 -179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . 0.615 ' OE1' ' HA ' ' A' 1755 ' ' HIS . 1.8 pt20 -66.55 -39.97 88.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.511 -0.768 . . . . 1.0 110.64 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 95.7 mmm -69.53 -36.1 76.09 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 116.395 -0.366 . . . . 1.0 110.691 -178.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.76 -53.05 45.72 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.737 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.47 HD11 ' HB3' ' A' 1748 ' ' ALA . 4.1 pp -69.58 -30.61 68.42 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 119.83 -0.748 . . . . 1.0 110.11 -176.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.811 HD22 ' HB2' ' A' 1749 ' ' ALA . 65.5 tp -62.77 -57.56 10.49 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.772 177.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 24.4 t70 -66.45 -35.85 81.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.079 -0.509 . . . . 1.0 111.1 -177.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -69.02 -31.79 70.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.695 -0.23 . . . . 1.0 111.191 179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.614 HG23 HD22 ' A' 1741 ' ' LEU . 98.9 m -63.46 -40.49 97.26 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.493 0.663 . . . . 1.0 109.393 173.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.565 ' HB2' ' HB3' ' A' 1675 ' ' LEU . 20.4 ttpt -65.65 -39.01 90.93 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.029 -0.987 . . . . 1.0 110.22 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 81.5 m -61.54 -42.07 98.28 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.677 173.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.43 ' HG ' ' CZ ' ' A' 1738 ' ' PHE . 57.3 tp -64.81 -35.24 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.958 -0.386 . . . . 1.0 109.958 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.57 97.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.6 175.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -63.37 -39.22 93.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.784 0.326 . . . . 1.0 110.476 175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 23.9 m -65.56 -42.37 91.88 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 1.0 110.239 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -68.28 -36.77 79.88 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.75 177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 16.3 tp -65.5 -42.25 92.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.213 -0.662 . . . . 1.0 109.213 178.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -60.16 -40.4 89.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.499 . . . . 1.0 109.788 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.812 HD11 HD22 ' A' 1716 ' ' LEU . 3.3 tm? -63.53 -54.49 35.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.54 -0.755 . . . . 1.0 110.049 177.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . 0.414 HD22 HG13 ' A' 1731 ' ' VAL . 52.7 mt -60.78 -33.6 73.22 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.513 0.196 . . . . 1.0 111.01 179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -59.29 -54.14 50.17 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.708 0.29 . . . . 1.0 110.694 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 33.2 p -67.57 -35.02 78.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.294 -178.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -72.34 -24.95 61.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.736 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.407 ' NZ ' ' OD1' ' A' 1651 ' ' ASP . 59.6 tttp -71.3 -37.5 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.999 0.428 . . . . 1.0 110.466 176.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.732 ' HB2' HG21 ' A' 1792 ' ' THR . 63.0 mt-10 -75.69 -54.2 7.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.948 -0.569 . . . . 1.0 111.165 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.95 -17.25 44.25 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 1.0 112.209 -174.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -47.72 103.37 0.06 OUTLIER Glycine 0 C--O 1.226 -0.371 0 O-C-N 124.101 0.876 . . . . 1.0 114.762 -166.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.571 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 77.76 14.55 82.27 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.409 -0.424 . . . . 1.0 112.551 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' 1788 ' ' GLN . 35.1 t30 -151.13 86.98 4.7 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.118 0.485 . . . . 1.0 110.708 -178.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . 0.513 ' HA ' ' NE2' ' A' 1793 ' ' GLN . 72.9 Cg_endo -77.07 -1.57 11.75 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.785 2.324 . . . . 1.0 112.143 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -85.77 -63.51 1.31 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.434 -0.803 . . . . 1.0 111.434 -174.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . 0.635 HE22 ' HA ' ' A' 1653 ' ' PHE . 26.8 tt0 -65.69 -43.19 90.0 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.32 0.581 . . . . 1.0 110.319 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.78 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -84.9 100.72 11.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.33 179.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -103.95 -46.07 4.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.922 -176.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -88.49 -16.77 31.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.165 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.78 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 97.5 m -63.27 -32.52 73.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.262 0.554 . . . . 1.0 109.554 173.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.513 ' NE2' ' HA ' ' A' 1786 ' ' PRO . 80.0 mm-40 -57.85 -36.18 71.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.354 -0.839 . . . . 1.0 110.341 178.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.53 -40.7 89.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.749 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.515 ' O ' ' HG2' ' A' 1798 ' ' GLU . . . -80.37 -27.49 38.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 1.0 111.248 -178.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 61.2 tp -63.71 -26.42 68.65 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.144 0.497 . . . . 1.0 109.879 176.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' 1793 ' ' GLN . 55.3 mt-10 -77.05 -38.64 52.31 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.815 -0.629 . . . . 1.0 110.601 178.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' 1795 ' ' ALA . 13.0 pt-20 -75.34 -33.12 61.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.967 0.413 . . . . 1.0 110.344 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -65.26 -46.47 80.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.413 -179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.827 HG23 HG22 ' A' 1713 ' ' ILE . 12.2 p -62.24 -34.88 66.24 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.802 0.334 . . . . 1.0 110.504 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -71.06 -41.69 70.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.709 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 20.2 mmt -62.1 -43.95 97.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.319 -0.4 . . . . 1.0 111.458 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.743 ' HB3' HD13 ' A' 1713 ' ' ILE . 69.4 mtp -62.64 -52.56 62.87 Favored 'General case' 0 CA--C 1.51 -0.576 0 C-N-CA 120.372 -0.531 . . . . 1.0 110.15 175.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . 0.476 ' O ' ' HB ' ' A' 1807 ' ' VAL . 52.2 m -50.51 -47.9 57.16 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.961 0.788 . . . . 1.0 111.77 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.23 -37.72 84.03 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-O 121.01 0.433 . . . . 1.0 110.775 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1809 ' ' ASP . . . -71.17 -26.82 63.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.265 0.555 . . . . 1.0 110.289 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.791 HG13 HG12 ' A' 1706 ' ' VAL . 41.4 t -57.94 -55.03 24.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.36 -0.836 . . . . 1.0 110.792 175.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -70.41 -26.9 63.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.216 0.531 . . . . 1.0 109.979 178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . 0.461 ' HB3' ' HA ' ' A' 1806 ' ' ALA . 35.2 t70 -63.75 -57.8 8.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.413 -0.812 . . . . 1.0 110.749 178.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.517 HD23 HG21 ' A' 1706 ' ' VAL . 24.1 tp -64.11 -43.78 94.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.48 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.669 HG23 HD13 ' A' 1703 ' ' LEU . 33.1 m -54.57 -39.06 67.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.598 -0.728 . . . . 1.0 111.621 -179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.541 ' O ' ' HG3' ' A' 1816 ' ' GLU . 79.3 m -58.44 -53.6 56.54 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.445 -0.102 . . . . 1.0 110.926 177.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 21.0 m -59.4 -41.96 90.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 1.0 110.955 179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.707 HD21 ' HE3' ' A' 1702 ' ' MET . 89.1 mt -63.7 -42.66 97.93 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.54 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . 0.798 HD21 HD22 ' A' 1703 ' ' LEU . 0.9 OUTLIER -74.83 -23.2 58.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.591 -177.439 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' 1812 ' ' THR . 42.3 mt-10 -78.49 -48.57 15.05 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.813 -1.18 . . . . 1.0 107.813 173.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.57 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -58.66 -15.17 10.57 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 114.988 -1.006 . . . . 1.0 112.026 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -51.23 -48.58 62.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.003 0.43 . . . . 1.0 110.258 174.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 23.3 t -105.29 -22.92 12.96 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.307 174.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.57 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -82.07 -2.88 53.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.899 -0.591 . . . . 1.0 112.044 -176.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . 0.59 ' HB1' HG23 ' A' 1752 ' ' THR . . . -146.79 125.24 12.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.796 0.331 . . . . 1.0 110.711 179.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.911 0 CA-C-O 119.098 -0.834 . . . . 1.0 111.355 -178.299 . . . . . . . . 0 0 . 1 stop_ save_